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8eok

Structure of the C3bB proconvertase in complex with lufaxin and factor Xa

Method: ELECTRON MICROSCOPY Dmax: 176.2 Å Quality: REASONABLE
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1. Protein Identity and Related Structures Protein Identity & Related Structures

Complement C3 beta chain

OrganismNot specified

UniProt P01024

State in the Current Structure

Assembly Oligomeric State Construct Mutations and Modifications Ligands, Ions and Associated Components Method and Experimental Conditions Structure Quality
1 Other combination Heteromer Protein × 6 其他Polymer 1 PDB declaration: hexameric（6） Consistent with protein copy count Chain G； UniProt 23–667 Chain H； UniProt 749–1663 Not recorded Complement factor B × 1 （P00751） Lufaxin × 1 （Q5WPU8） Factor X light chain × 1 （P00742） Activated factor Xa heavy chain × 1 （P00742） beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose × 1 MG MAGNESIUM ION × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 ELECTRON MICROSCOPY cryo-EM buffer：pH 7.5 cryo-EM vitrification conditions：Cryogen ETHANE Resolution 3.53 Å

Other States of the Same Protein in the Database

Each row is a biological assembly of the same UniProt protein in another PDB entry. The “Difference from current entry” column identifies evidence-level differences; no tag means the currently parsed fields agree.

Other PDB Difference from Current Entry 8EOK Assembly / Oligomeric State Construct Mutations and Modifications Ligands, Ions and Non-polymers Method and Experimental Conditions Structure Quality
1C3D X-RAY CRYSTAL STRUCTURE OF C3D: A C3 FRAGMENT AND LIGAND FOR COMPLEMENT RECEPTOR 2 Deposited 1998-05-19 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 996–1287（292 aa）
Mutation：C17A GOL GLYCEROL × 5 X-RAY DIFFRACTION
X-ray crystallization conditions pH 6.5；PROTEIN WAS CRYSTALLIZED FROM 12% PEG 20K, 100 MM MES BUFFER, PH 6.5, 10 MM DTT
Resolution 1.80 Å R-free 0.230
1GHQ CR2-C3D COMPLEX STRUCTURE Deposited 2001-01-11 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain A 996–1300（305 aa） Fragment：FRAGMENT OF ALPHA CHAIN
Mutation：C17A ZN ZINC ION × 2 NDG 2-acetamido-2-deoxy-alpha-D-glucopyranose × 2 X-RAY DIFFRACTION
X-ray crystallization conditions pH 6；pH 6.0
Resolution 2.04 Å R-free 0.239
1W2S Solution structure of CR2 SCR 1-2 in its complex with C3d by X-ray scattering Deposited 2004-07-08 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 996–1287（292 aa）
Chain A 1288–1299（12 aa）
Not recorded No recorded non-water small molecule SOLUTION SCATTERING mmCIF provides none of the parsed conditions Resolution not provided
2A73 Human Complement Component C3 Deposited 2005-07-04 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 23–665（643 aa） Fragment：residue 1-645
Chain B 673–1663（991 aa） Fragment：residue 650-1663
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.2；293 K；PEG 550 MME, sodium acetate, pH 6.2, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 3.30 Å R-free 0.289
2A74 Human Complement Component C3c Deposited 2005-07-04 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Homooligomer；Protein × 3 PDB declaration: trimeric
Chain A 23–665（643 aa） Fragment：residues 23-665
Chain B 749–936（188 aa） Fragment：residues 749-936
Chain C 1321–1663（343 aa） Fragment：esidues 1321-1663
Not recorded GOL GLYCEROL × 7 NO3 NITRATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；293 K；PEG3000, lithium nitrate, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.40 Å R-free 0.275
2A74 Human Complement Component C3c Deposited 2005-07-04 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Other combination Homooligomer；Protein × 3 PDB declaration: trimeric
Chain D 23–665（643 aa） Fragment：residues 23-665
Chain E 749–936（188 aa） Fragment：residues 749-936
Chain F 1321–1663（343 aa） Fragment：esidues 1321-1663
Not recorded GOL GLYCEROL × 6 NO3 NITRATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；293 K；PEG3000, lithium nitrate, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.40 Å R-free 0.275
2GOX Crystal structure of Efb-C / C3d Complex Deposited 2006-04-14 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 996–1287（292 aa） Fragment：Fragment of alpha chain: Residues 996-1287
Mutation：C1010A No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.4；293 K；60% Tacsimate pH 7.4, VAPOR DIFFUSION, HANGING DROP, temperature 293.0K
Resolution 2.20 Å R-free 0.231
2GOX Crystal structure of Efb-C / C3d Complex Deposited 2006-04-14 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain C 996–1287（292 aa） Fragment：Fragment of alpha chain: Residues 996-1287
Mutation：C1010A No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.4；293 K；60% Tacsimate pH 7.4, VAPOR DIFFUSION, HANGING DROP, temperature 293.0K
Resolution 2.20 Å R-free 0.231
2I07 Human Complement Component C3b Deposited 2006-08-10 Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 23–667（645 aa）
Chain B 749–1663（915 aa）
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.8；303 K；PEG-MME 2000, sodium acetate, Bis-Tris propane, taurine, pH 7.8, VAPOR DIFFUSION, SITTING DROP, temperature 303K
Resolution 4.00 Å R-free 0.323
2ICE CRIg bound to C3c Deposited 2006-09-12 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 23–664（642 aa）
Chain B 749–954（206 aa）
Chain C 1321–1663（343 aa）
Not recorded CA CALCIUM ION × 1 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 3.10 Å R-free 0.295
2ICE CRIg bound to C3c Deposited 2006-09-12 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain D 23–664（642 aa）
Chain E 749–954（206 aa）
Chain F 1321–1663（343 aa）
Not recorded CA CALCIUM ION × 1 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 3.10 Å R-free 0.295
2ICF CRIg bound to C3b Deposited 2006-09-12 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Heteromer；Protein × 3 PDB declaration: trimeric
Chain A 23–664（642 aa）
Chain B 749–1663（915 aa）
Not recorded CA CALCIUM ION × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 X-RAY DIFFRACTION
X-ray crystallization conditions EVAPORATION；pH 6.5；293 K；pH 6.5, EVAPORATION, temperature 293K
Resolution 4.10 Å R-free 0.330
2NOJ Crystal structure of Ehp / C3d complex Deposited 2006-10-25 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 996–1287（292 aa） Fragment：Residues 996-1287
Mutation：C1010A No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions pH 8.2；293 K；0.2M LiSO4, 25% PEG 3350, 0.1M Tris-HCl pH 8.2, additive: CaCl2, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.70 Å R-free 0.284
2NOJ Crystal structure of Ehp / C3d complex Deposited 2006-10-25 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain C 996–1287（292 aa） Fragment：Residues 996-1287
Mutation：C1010A No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions pH 8.2；293 K；0.2M LiSO4, 25% PEG 3350, 0.1M Tris-HCl pH 8.2, additive: CaCl2, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.70 Å R-free 0.284
2NOJ Crystal structure of Ehp / C3d complex Deposited 2006-10-25 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain E 996–1287（292 aa） Fragment：Residues 996-1287
Mutation：C1010A No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions pH 8.2；293 K；0.2M LiSO4, 25% PEG 3350, 0.1M Tris-HCl pH 8.2, additive: CaCl2, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.70 Å R-free 0.284
2NOJ Crystal structure of Ehp / C3d complex Deposited 2006-10-25 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 4 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain G 996–1287（292 aa） Fragment：Residues 996-1287
Mutation：C1010A No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions pH 8.2；293 K；0.2M LiSO4, 25% PEG 3350, 0.1M Tris-HCl pH 8.2, additive: CaCl2, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.70 Å R-free 0.284
2QKI Human C3c in complex with the inhibitor compstatin Deposited 2007-07-11 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 23–665（643 aa） Fragment：residues 23-665
Chain B 749–936（188 aa） Fragment：residues 749-936
Chain C 1321–1663（343 aa） Fragment：residues 1321-1663
Not recorded K POTASSIUM ION × 2 BR BROMIDE ION × 12 GOL GLYCEROL × 7 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；293 K；PEG-MME 2000, KBr, Tris, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.40 Å R-free 0.281
2QKI Human C3c in complex with the inhibitor compstatin Deposited 2007-07-11 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Other combination Heteromer；Protein × 4 PDB declaration: tetrameric
Chain D 23–665（643 aa） Fragment：residues 23-665
Chain E 749–936（188 aa） Fragment：residues 749-936
Chain F 1321–1663（343 aa） Fragment：residues 1321-1663
Not recorded K POTASSIUM ION × 3 BR BROMIDE ION × 20 GOL GLYCEROL × 11 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；293 K；PEG-MME 2000, KBr, Tris, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.40 Å R-free 0.281
2WII Complement C3b in complex with factor H domains 1-4 Deposited 2009-05-12 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Heteromer；Protein × 3 PDB declaration: trimeric
Chain A 23–667（645 aa） Fragment：RESIDUES 23-667
Chain B 749–1663（915 aa） Fragment：RESIDUES 749-1663
Not recorded CA CALCIUM ION × 1 GOL GLYCEROL × 17 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 7.1；7.0% (W/V) PEG 3,350, 70 MM AMMONIUM ACETATE, PH 7.1
Resolution 2.70 Å R-free 0.252
2WII Complement C3b in complex with factor H domains 1-4 Deposited 2009-05-12 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Other combination Monomer；Protein × 1 PDB declaration: monomeric
Chain A 23–667（645 aa） Fragment：RESIDUES 23-667
Not recorded CA CALCIUM ION × 1 GOL GLYCEROL × 3 X-RAY DIFFRACTION
X-ray crystallization conditions pH 7.1；7.0% (W/V) PEG 3,350, 70 MM AMMONIUM ACETATE, PH 7.1
Resolution 2.70 Å R-free 0.252
2WII Complement C3b in complex with factor H domains 1-4 Deposited 2009-05-12 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 749–1663（915 aa） Fragment：RESIDUES 749-1663
Not recorded GOL GLYCEROL × 13 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 7.1；7.0% (W/V) PEG 3,350, 70 MM AMMONIUM ACETATE, PH 7.1
Resolution 2.70 Å R-free 0.252
2WIN C3 convertase (C3bBb) stabilized by SCIN Deposited 2009-05-13 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Heteromer；Protein × 8 PDB declaration: octameric
Chain A 23–667（645 aa） Fragment：COMPLEMENT C3B BETA CHAIN, RESIDUES 23-667
Chain B 749–1663（915 aa） Fragment：;COMPLEMENT C3B ALPHA' CHAIN, RESIDUES 749-1663 ;
Chain G 23–667（645 aa） Fragment：COMPLEMENT C3B BETA CHAIN, RESIDUES 23-667
Chain H 749–1663（915 aa） Fragment：;COMPLEMENT C3B ALPHA' CHAIN, RESIDUES 749-1663 ;
Not recorded MAN alpha-D-mannopyranose × 1 BMA beta-D-mannopyranose × 1 MG MAGNESIUM ION × 2 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 6.5；75 MM SODIUM/POTASSIUM TARTRATE, 8.0% PEG 3350, 50 MM BIS-TRIS PROPANE, PH 6.5
Resolution 3.90 Å R-free 0.268
2WIN C3 convertase (C3bBb) stabilized by SCIN Deposited 2009-05-13 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Other combination Heteromer；Protein × 8 PDB declaration: octameric
Chain C 23–667（645 aa） Fragment：COMPLEMENT C3B BETA CHAIN, RESIDUES 23-667
Chain D 749–1663（915 aa） Fragment：;COMPLEMENT C3B ALPHA' CHAIN, RESIDUES 749-1663 ;
Chain E 23–667（645 aa） Fragment：COMPLEMENT C3B BETA CHAIN, RESIDUES 23-667
Chain F 749–1663（915 aa） Fragment：;COMPLEMENT C3B ALPHA' CHAIN, RESIDUES 749-1663 ;
Not recorded BMA beta-D-mannopyranose × 1 MG MAGNESIUM ION × 2 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 6.5；75 MM SODIUM/POTASSIUM TARTRATE, 8.0% PEG 3350, 50 MM BIS-TRIS PROPANE, PH 6.5
Resolution 3.90 Å R-free 0.268
2WY7 Staphylococcus aureus complement subversion protein Sbi-IV in complex with complement fragment C3d revealing an alternative binding mode Deposited 2009-11-13 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 996–1303（308 aa） Fragment：C3D, RESIDUES 996-1303
Mutation：YES GOL GLYCEROL × 3 X-RAY DIFFRACTION
X-ray crystallization conditions pH 8；100MM TRIS PH8.0, 200MM NACL, 20%(W/V) PEG 4000
Resolution 1.70 Å R-free 0.205
2WY8 Staphylococcus aureus complement subversion protein Sbi-IV in complex with complement fragment C3d Deposited 2009-11-13 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 996–1303（308 aa） Fragment：C3D, RESIDUES 996-1303
Mutation：YES GOL GLYCEROL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions pH 8；100MM TRIS PH8.0, 200MM NACL, 20%(W/V) PEG 4000
Resolution 1.70 Å R-free 0.205
2XQW Structure of Factor H domains 19-20 in complex with complement C3d Deposited 2010-09-07 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain A 996–1287（292 aa） Fragment：THIOESTER DOMAIN, RESIDUES 996-1287
Chain B 996–1287（292 aa） Fragment：THIOESTER DOMAIN, RESIDUES 996-1287
Mutation：YES Mutation：YES No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions pH 7.5；295 K；12-18% PEG 4000, 0.1 M HEPES, PH 7.5, AT 22 DEGREES C
Resolution 2.31 Å R-free 0.242
2XQW Structure of Factor H domains 19-20 in complex with complement C3d Deposited 2010-09-07 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 996–1287（292 aa） Fragment：THIOESTER DOMAIN, RESIDUES 996-1287
Mutation：YES No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions pH 7.5；295 K；12-18% PEG 4000, 0.1 M HEPES, PH 7.5, AT 22 DEGREES C
Resolution 2.31 Å R-free 0.242
2XQW Structure of Factor H domains 19-20 in complex with complement C3d Deposited 2010-09-07 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 996–1287（292 aa） Fragment：THIOESTER DOMAIN, RESIDUES 996-1287
Mutation：YES No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions pH 7.5；295 K；12-18% PEG 4000, 0.1 M HEPES, PH 7.5, AT 22 DEGREES C
Resolution 2.31 Å R-free 0.242
2XWB Crystal Structure of Complement C3b in complex with Factors B and D Deposited 2010-11-01 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 23–664（642 aa） Fragment：RESIDUES 23-664
Chain B 752–1663（912 aa） Fragment：RESIDUES 752-1663
Not recorded MG MAGNESIUM ION × 2 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 7.7；PH 7.7
Resolution 3.49 Å R-free 0.244
2XWB Crystal Structure of Complement C3b in complex with Factors B and D Deposited 2010-11-01 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Other combination Heteromer；Protein × 4 PDB declaration: tetrameric
Chain C 23–664（642 aa） Fragment：RESIDUES 23-664
Chain D 752–1663（912 aa） Fragment：RESIDUES 752-1663
Not recorded MG MAGNESIUM ION × 2 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 3 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 7.7；PH 7.7
Resolution 3.49 Å R-free 0.244
2XWB Crystal Structure of Complement C3b in complex with Factors B and D Deposited 2010-11-01 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 3 Other combination Heteromer；Protein × 4 PDB declaration: tetrameric
Chain C 23–664（642 aa） Fragment：RESIDUES 23-664
Chain D 752–1663（912 aa） Fragment：RESIDUES 752-1663
Not recorded MG MAGNESIUM ION × 2 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 3 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 7.7；PH 7.7
Resolution 3.49 Å R-free 0.244
2XWB Crystal Structure of Complement C3b in complex with Factors B and D Deposited 2010-11-01 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 4 Other combination Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 23–664（642 aa） Fragment：RESIDUES 23-664
Chain B 752–1663（912 aa） Fragment：RESIDUES 752-1663
Not recorded MG MAGNESIUM ION × 2 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 7.7；PH 7.7
Resolution 3.49 Å R-free 0.244
2XWJ Crystal Structure of Complement C3b in Complex with Factor B Deposited 2010-11-04 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain A 23–667（645 aa） Fragment：RESIDUES 23-667
Chain B 749–1663（915 aa） Fragment：RESIDUES 749-1663
Mutation：YES NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 NI NICKEL (II) ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 4；pH 4.0
Resolution 4.00 Å R-free 0.281
2XWJ Crystal Structure of Complement C3b in Complex with Factor B Deposited 2010-11-04 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain C 23–667（645 aa） Fragment：RESIDUES 23-667
Chain D 749–1663（915 aa） Fragment：RESIDUES 749-1663
Mutation：YES NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 NI NICKEL (II) ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 4；pH 4.0
Resolution 4.00 Å R-free 0.281
2XWJ Crystal Structure of Complement C3b in Complex with Factor B Deposited 2010-11-04 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain G 23–667（645 aa） Fragment：RESIDUES 23-667
Chain H 749–1663（915 aa） Fragment：RESIDUES 749-1663
Mutation：YES NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 NI NICKEL (II) ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 4；pH 4.0
Resolution 4.00 Å R-free 0.281
2XWJ Crystal Structure of Complement C3b in Complex with Factor B Deposited 2010-11-04 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 4 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain E 23–667（645 aa） Fragment：RESIDUES 23-667
Chain F 749–1663（915 aa） Fragment：RESIDUES 749-1663
Mutation：YES NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 NI NICKEL (II) ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 4；pH 4.0
Resolution 4.00 Å R-free 0.281
30JE Herpes simplex virus 2 delta28-73 glycoprotein C ectodomain in complex with C3b Deposited 2026-04-29 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 23–667（645 aa）
Chain C 749–1663（915 aa）
Not recorded No recorded non-water small molecule ELECTRON MICROSCOPY
cryo-EM buffer pH 7.4
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.50 Å
3D5R Crystal Structure of Efb-C (N138A) / C3d Complex Deposited 2008-05-16 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 996–1287（292 aa） Fragment：Complement C3d fragment, UNP residues 996-1287
Mutation：C1010A No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；293 K；60% (v/v) tacsimate, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.10 Å R-free 0.241
3D5R Crystal Structure of Efb-C (N138A) / C3d Complex Deposited 2008-05-16 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 996–1287（292 aa） Fragment：Complement C3d fragment, UNP residues 996-1287
Mutation：C1010A No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；293 K；60% (v/v) tacsimate, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.10 Å R-free 0.241
3D5S Crystal Structure of Efb-C (R131A) / C3d Complex Deposited 2008-05-16 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 996–1287（292 aa） Fragment：Complement C3d fragment, UNP residues 996-1287
Mutation：C1010A No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；293 K；60% (v/v) tacsimate, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.30 Å R-free 0.218
3D5S Crystal Structure of Efb-C (R131A) / C3d Complex Deposited 2008-05-16 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 996–1287（292 aa） Fragment：Complement C3d fragment, UNP residues 996-1287
Mutation：C1010A No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；293 K；60% (v/v) tacsimate, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.30 Å R-free 0.218
3G6J C3b in complex with a C3b specific Fab Deposited 2009-02-06 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 23–666（644 aa）
Chain B 749–1663（915 aa）
Not recorded CA CALCIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；Crystals of the C3b:S77 complex were obtained within a week at 19\xB0 C from 4 ml hanging drops, consisting of a 1:1 ratio of protein solution (10 mg/ml protein in 50 mM NaCl, 25 mM TRIS pH 7.8) to mother liquor (10% PEG 4000, 0.2 M MgCl2, 100 mM Na-HEPES, pH 7.0), suspended over mother liquor, VAPOR DIFFUSION, HANGING DROP
Resolution 3.10 Å R-free 0.282
3G6J C3b in complex with a C3b specific Fab Deposited 2009-02-06 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain C 23–666（644 aa）
Chain D 749–1663（915 aa）
Not recorded CA CALCIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；Crystals of the C3b:S77 complex were obtained within a week at 19\xB0 C from 4 ml hanging drops, consisting of a 1:1 ratio of protein solution (10 mg/ml protein in 50 mM NaCl, 25 mM TRIS pH 7.8) to mother liquor (10% PEG 4000, 0.2 M MgCl2, 100 mM Na-HEPES, pH 7.0), suspended over mother liquor, VAPOR DIFFUSION, HANGING DROP
Resolution 3.10 Å R-free 0.282
3G6J C3b in complex with a C3b specific Fab Deposited 2009-02-06 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 5 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 23–666（644 aa）
Chain B 749–1663（915 aa）
Not recorded CA CALCIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；Crystals of the C3b:S77 complex were obtained within a week at 19\xB0 C from 4 ml hanging drops, consisting of a 1:1 ratio of protein solution (10 mg/ml protein in 50 mM NaCl, 25 mM TRIS pH 7.8) to mother liquor (10% PEG 4000, 0.2 M MgCl2, 100 mM Na-HEPES, pH 7.0), suspended over mother liquor, VAPOR DIFFUSION, HANGING DROP
Resolution 3.10 Å R-free 0.282
3G6J C3b in complex with a C3b specific Fab Deposited 2009-02-06 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 6 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain C 23–666（644 aa）
Chain D 749–1663（915 aa）
Not recorded CA CALCIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；Crystals of the C3b:S77 complex were obtained within a week at 19\xB0 C from 4 ml hanging drops, consisting of a 1:1 ratio of protein solution (10 mg/ml protein in 50 mM NaCl, 25 mM TRIS pH 7.8) to mother liquor (10% PEG 4000, 0.2 M MgCl2, 100 mM Na-HEPES, pH 7.0), suspended over mother liquor, VAPOR DIFFUSION, HANGING DROP
Resolution 3.10 Å R-free 0.282
3L3O Staphylococcal Complement Inhibitor (SCIN) in complex with Human Complement Component C3c Deposited 2009-12-17 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 23–667（645 aa） Fragment：residues 23-667
Chain B 749–954（206 aa） Fragment：residues 749-954
Chain C 1321–1663（343 aa） Fragment：residues 1321-1663
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；Protein solution: 5mg/ml, 0.1M HEPES, 10% PEG 6000, 5% 2-Methyl-2,4-pentanediol, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 3.40 Å R-free 0.271
3L3O Staphylococcal Complement Inhibitor (SCIN) in complex with Human Complement Component C3c Deposited 2009-12-17 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain D 23–667（645 aa） Fragment：residues 23-667
Chain E 749–954（206 aa） Fragment：residues 749-954
Chain F 1321–1663（343 aa） Fragment：residues 1321-1663
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；Protein solution: 5mg/ml, 0.1M HEPES, 10% PEG 6000, 5% 2-Methyl-2,4-pentanediol, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 3.40 Å R-free 0.271
3L5N Staphylococcal Complement Inhibitor (SCIN) in complex with Human Complement Component C3b Deposited 2009-12-22 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain A 23–667（645 aa） Fragment：residues 23-667
Chain B 749–1663（915 aa） Fragment：residues 749-1663
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 3 MAN alpha-D-mannopyranose × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；293 K；Protein solution 5mg/ml, 0.1M HEPES-NaOH, 30%(v/v) Jeffamine ED-2001-HCl, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 7.54 Å R-free 0.268
3NMS Staphylococcal Complement Inhibitor (SCIN) in complex with Human Complement C3c Deposited 2010-06-22 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 23–667（645 aa）
Chain B 749–954（206 aa）
Chain C 1321–1663（343 aa）
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；Protein solution: 5mg/ml, 0.1M HEPES, 10% PEG 6000, 5% 2-Methyl-2,4-pentanediol, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 4.10 Å R-free 0.289
3OED The structure of the complex between complement receptor CR2 and its ligand complement fragment C3d Deposited 2010-08-12 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 996–1303（308 aa） Fragment：C3 (unp residues 996-1303)
Mutation：C1010A No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；100 mM HEPES, 20% Poly Ethylene Glycol 6000, 200 mM CaCl2, pH 7.0, VAPOR DIFFUSION, HANGING DROP
Resolution 3.16 Å R-free 0.259
3OED The structure of the complex between complement receptor CR2 and its ligand complement fragment C3d Deposited 2010-08-12 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 996–1303（308 aa） Fragment：C3 (unp residues 996-1303)
Mutation：C1010A No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；100 mM HEPES, 20% Poly Ethylene Glycol 6000, 200 mM CaCl2, pH 7.0, VAPOR DIFFUSION, HANGING DROP
Resolution 3.16 Å R-free 0.259
3OHX Molecular Basis for Complement Recognition and Inhibition Determined by Crystallographic Studies of the Staphylococcal Complement Inhibitor (SCIN) Bound to C3c and C3b Deposited 2010-08-18 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 23–667（645 aa） Fragment：Complement C3 beta chain
Chain B 749–954（206 aa） Fragment：;Complement C3 alpha' chain fragment 1 ;
Chain C 1321–1663（343 aa） Fragment：;Complement C3 alpha' chain fragment 2 ;
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；2.5mg/ml protein, 0.1M HEPES, 10% PEG6000, 5% 2-Methyl-2,4-pentanediol, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 3.50 Å R-free 0.294
3OHX Molecular Basis for Complement Recognition and Inhibition Determined by Crystallographic Studies of the Staphylococcal Complement Inhibitor (SCIN) Bound to C3c and C3b Deposited 2010-08-18 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain D 23–667（645 aa） Fragment：Complement C3 beta chain
Chain E 749–954（206 aa） Fragment：;Complement C3 alpha' chain fragment 1 ;
Chain F 1321–1663（343 aa） Fragment：;Complement C3 alpha' chain fragment 2 ;
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；2.5mg/ml protein, 0.1M HEPES, 10% PEG6000, 5% 2-Methyl-2,4-pentanediol, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 3.50 Å R-free 0.294
3OXU Complement components factor H CCP19-20 and C3d in complex Deposited 2010-09-22 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 996–1303（308 aa） Fragment：UNP residues 996-1303
Mutation：C1010A GOL GLYCEROL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.8；290 K；4% w/v PEG 8000, 0.1 M Tris HCl, pH 8.8, VAPOR DIFFUSION, HANGING DROP, temperature 290K
Resolution 2.10 Å R-free 0.206
3OXU Complement components factor H CCP19-20 and C3d in complex Deposited 2010-09-22 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 996–1303（308 aa） Fragment：UNP residues 996-1303
Mutation：C1010A GOL GLYCEROL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.8；290 K；4% w/v PEG 8000, 0.1 M Tris HCl, pH 8.8, VAPOR DIFFUSION, HANGING DROP, temperature 290K
Resolution 2.10 Å R-free 0.206
3OXU Complement components factor H CCP19-20 and C3d in complex Deposited 2010-09-22 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain C 996–1303（308 aa） Fragment：UNP residues 996-1303
Mutation：C1010A GOL GLYCEROL × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.8；290 K；4% w/v PEG 8000, 0.1 M Tris HCl, pH 8.8, VAPOR DIFFUSION, HANGING DROP, temperature 290K
Resolution 2.10 Å R-free 0.206
3RJ3 Complement components factor H CCP19-20 (S1191L mutant) and C3D in complex Deposited 2011-04-15 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 996–1303（308 aa） Fragment：UNP residues 996-1303
Not recorded GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；290 K；4% w/v PEG 8000, 0.1 M Tris HCl, pH 8.8, VAPOR DIFFUSION, HANGING DROP, temperature 290K
Resolution 2.35 Å R-free 0.232
3RJ3 Complement components factor H CCP19-20 (S1191L mutant) and C3D in complex Deposited 2011-04-15 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 996–1303（308 aa） Fragment：UNP residues 996-1303
Not recorded GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；290 K；4% w/v PEG 8000, 0.1 M Tris HCl, pH 8.8, VAPOR DIFFUSION, HANGING DROP, temperature 290K
Resolution 2.35 Å R-free 0.232
3RJ3 Complement components factor H CCP19-20 (S1191L mutant) and C3D in complex Deposited 2011-04-15 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain C 996–1303（308 aa） Fragment：UNP residues 996-1303
Not recorded GOL GLYCEROL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；290 K；4% w/v PEG 8000, 0.1 M Tris HCl, pH 8.8, VAPOR DIFFUSION, HANGING DROP, temperature 290K
Resolution 2.35 Å R-free 0.232
3T4A Structure of a truncated form of Staphylococcal Complement Inhibitor B bound to human C3c at 3.4 Angstrom resolution Deposited 2011-07-25 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 23–667（645 aa） Fragment：C3c beta chain, UNP residues 23-667
Chain B 749–954（206 aa） Fragment：;C3c alpha' chain fragment 1, UNP residues 749-954 ;
Chain C 1321–1663（343 aa） Fragment：;C3c alpha' chain fragment 2, UNP residues 1321-1663 ;
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions pH 6.5；293 K；5mg/ml protein, 0.1M bis-Tris, 15% w/v PEG 3350, pH 6.5, vapor diffusion, hanging drop, temperature 293K
Resolution 3.40 Å R-free 0.270
3T4A Structure of a truncated form of Staphylococcal Complement Inhibitor B bound to human C3c at 3.4 Angstrom resolution Deposited 2011-07-25 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain D 23–667（645 aa） Fragment：C3c beta chain, UNP residues 23-667
Chain E 749–954（206 aa） Fragment：;C3c alpha' chain fragment 1, UNP residues 749-954 ;
Chain F 1321–1663（343 aa） Fragment：;C3c alpha' chain fragment 2, UNP residues 1321-1663 ;
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions pH 6.5；293 K；5mg/ml protein, 0.1M bis-Tris, 15% w/v PEG 3350, pH 6.5, vapor diffusion, hanging drop, temperature 293K
Resolution 3.40 Å R-free 0.270
4HW5 Crystal Structure of the Human C3a anaphylatoxin Deposited 2012-11-07 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 672–748（77 aa）
Not recorded SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；292 K；2-2.2 M ammonium sulfate with the pH ranging from 6 to 9 , VAPOR DIFFUSION, SITTING DROP, temperature 292K
Resolution 2.25 Å R-free 0.243
4HW5 Crystal Structure of the Human C3a anaphylatoxin Deposited 2012-11-07 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 672–748（77 aa）
Not recorded SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；292 K；2-2.2 M ammonium sulfate with the pH ranging from 6 to 9 , VAPOR DIFFUSION, SITTING DROP, temperature 292K
Resolution 2.25 Å R-free 0.243
4HW5 Crystal Structure of the Human C3a anaphylatoxin Deposited 2012-11-07 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 3 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 672–748（77 aa）
Chain B 672–748（77 aa）
Not recorded SO4 SULFATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；292 K；2-2.2 M ammonium sulfate with the pH ranging from 6 to 9 , VAPOR DIFFUSION, SITTING DROP, temperature 292K
Resolution 2.25 Å R-free 0.243
4HWJ Crystal Structure of the Human C3a desArg anaphylatoxin Deposited 2012-11-08 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 672–747（76 aa）
Not recorded SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；292 K；0.1 M Tris pH 7.5-8.5, 25 % w/v PEG 3350, VAPOR DIFFUSION, SITTING DROP, temperature 292K
Resolution 2.60 Å R-free 0.270
4I6O Crystal structure of chemically synthesized human anaphylatoxin C3a Deposited 2012-11-29 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 672–748（77 aa） Fragment：C3a anaphylatoxin (UNP residues 672-748)
Not recorded MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；277 K；VAPOR DIFFUSION, HANGING DROP, 1 uL 5 mg/mL lyophilized C3a in 2 mM hydrochloric acid + 1 uL reservoir (0.1 M Tris-HCl, 0.2 M ammonium phosphate monobasic, 49-51% v/v MPD, pH 8.5) against 500 uL reservoir, prepared at 277K, incubated at 281K for 96 hours, stored at 277K, rhomboid-shaped crystals appeared after 6 days and grew to a final size of 0.5 x 0.2 x 0.2 mm
Resolution 2.14 Å R-free 0.268
4M76 Integrin I domain of complement receptor 3 in complex with C3d Deposited 2013-08-12 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 994–1288（295 aa） Fragment：unp residues 994-1288
Mutation：C1010A, C144A, I332G NI NICKEL (II) ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；298 K；PEG 3350, pH 7, vapor diffusion, hanging drop, temperature 298K
Resolution 2.80 Å R-free 0.242
4ONT Ternary host recognition complex of complement factor H, C3d, and sialic acid Deposited 2014-01-29 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 996–1303（308 aa） Fragment：UNP residues 996-1303
Mutation：C17A GOL GLYCEROL × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 9；293 K；0.1 M Tris-HCl, pH 9.0, 8% w/v PEG8000, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.15 Å R-free 0.223
4ONT Ternary host recognition complex of complement factor H, C3d, and sialic acid Deposited 2014-01-29 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Other combination Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 996–1303（308 aa） Fragment：UNP residues 996-1303
Mutation：C17A GOL GLYCEROL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 9；293 K；0.1 M Tris-HCl, pH 9.0, 8% w/v PEG8000, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.15 Å R-free 0.223
4ONT Ternary host recognition complex of complement factor H, C3d, and sialic acid Deposited 2014-01-29 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 3 Other combination Heteromer；Protein × 2 PDB declaration: dimeric
Chain C 996–1303（308 aa） Fragment：UNP residues 996-1303
Mutation：C17A GOL GLYCEROL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 9；293 K；0.1 M Tris-HCl, pH 9.0, 8% w/v PEG8000, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.15 Å R-free 0.223
4ZH1 Complement factor H in complex with the GM1 glycan Deposited 2015-04-24 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 996–1303（308 aa）
Not recorded GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；293 K；0.1 M TRIS-HCL, PH 9.0, 8% W/V PRG 8000
Resolution 2.24 Å R-free 0.228
4ZH1 Complement factor H in complex with the GM1 glycan Deposited 2015-04-24 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Other combination Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 996–1303（308 aa）
Not recorded GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；293 K；0.1 M TRIS-HCL, PH 9.0, 8% W/V PRG 8000
Resolution 2.24 Å R-free 0.228
4ZH1 Complement factor H in complex with the GM1 glycan Deposited 2015-04-24 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 3 Other combination Heteromer；Protein × 2 PDB declaration: dimeric
Chain C 996–1303（308 aa）
Not recorded GOL GLYCEROL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；293 K；0.1 M TRIS-HCL, PH 9.0, 8% W/V PRG 8000
Resolution 2.24 Å R-free 0.228
5FO7 Crystal Structure of Human Complement C3b at 2.8 Angstrom resolution Deposited 2015-11-18 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 23–667（645 aa） Fragment：RESIDUES 23-667
Chain B 749–1663（915 aa） Fragment：RESIDUES 749-1663
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 X-RAY DIFFRACTION
X-ray crystallization conditions 8% PEG 3350 35MM BIS-TRIS PH 5.5
Resolution 2.80 Å R-free 0.268
5FO8 Crystal Structure of Human Complement C3b in Complex with MCP (CCP1-4) Deposited 2015-11-18 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Heteromer；Protein × 3 PDB declaration: trimeric
Chain A 23–667（645 aa） Fragment：UNP RESIDUES 23-667
Chain B 749–1663（915 aa） Fragment：UNP RESIDUES 749-1663
Not recorded EDO 1,2-ETHANEDIOL × 32 X-RAY DIFFRACTION
X-ray crystallization conditions 100MM AMMONIUM CITRATE 7% PEG 3350 5MM GLUTATHIONE 50MM BIS-TRIS PROPANE, PH 6.5
Resolution 2.40 Å R-free 0.219
5FO9 Crystal Structure of Human Complement C3b in Complex with CR1 (CCP15- 17) Deposited 2015-11-18 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain D 23–667（645 aa） Fragment：RESIDUES 23-667
Chain E 749–1663（915 aa） Fragment：CCP DOMAINS, RESIDUES 749-1663
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 X-RAY DIFFRACTION
X-ray crystallization conditions 8% PEG 3350 35MM BIS-TRIS PH 5.5
Resolution 3.30 Å R-free 0.291
5FO9 Crystal Structure of Human Complement C3b in Complex with CR1 (CCP15- 17) Deposited 2015-11-18 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain A 23–667（645 aa） Fragment：RESIDUES 23-667
Chain B 749–1663（915 aa） Fragment：CCP DOMAINS, RESIDUES 749-1663
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 X-RAY DIFFRACTION
X-ray crystallization conditions 8% PEG 3350 35MM BIS-TRIS PH 5.5
Resolution 3.30 Å R-free 0.291
5FOA Crystal Structure of Human Complement C3b in complex with DAF (CCP2-4) Deposited 2015-11-18 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain A 23–667（645 aa） Fragment：UNP RESIDUES 23-667
Chain B 749–1663（915 aa） Fragment：UNP RESIDUES 749-1663
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions 60MM MGCL2 30MM BIS-TRIS PH 5.5 6.5% PEG 3350 3% MESO-ERHYTROL
Resolution 4.19 Å R-free 0.307
5FOA Crystal Structure of Human Complement C3b in complex with DAF (CCP2-4) Deposited 2015-11-18 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain C 23–667（645 aa） Fragment：UNP RESIDUES 23-667
Chain D 749–1663（915 aa） Fragment：UNP RESIDUES 749-1663
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions 60MM MGCL2 30MM BIS-TRIS PH 5.5 6.5% PEG 3350 3% MESO-ERHYTROL
Resolution 4.19 Å R-free 0.307
5FOB Crystal Structure of Human Complement C3b in complex with Smallpox Inhibitor of Complement (SPICE) Deposited 2015-11-18 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Heteromer；Protein × 3 PDB declaration: trimeric
Chain A 23–667（645 aa） Fragment：RESIDUES 23-667
Chain B 749–1663（915 aa） Fragment：CCP DOMAINS, RESIDUES 749-1663
Not recorded CL CHLORIDE ION × 5 GOL GLYCEROL × 24 NA SODIUM ION × 2 IOD IODIDE ION × 7 X-RAY DIFFRACTION
X-ray crystallization conditions 75MM AMMONIUM IODIDE, 3.5% PEG 3350
Resolution 2.60 Å R-free 0.230
5NBQ The structure of the tripartite complex between OspE, the C-terminal domains of factor H and C3dg Deposited 2017-03-02 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain A 994–1287（294 aa）
Mutation：A1153E, C1010A No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；20% PEG3350, 0.1 M HEPES pH 7.5, 0.2 M MgCl2 or 24% PEG3350, 0.1 M HEPES pH 7.5, 0.2 M MgCl2 or 16% PEG3350, Tris pH 8.5, 0.2 M ammonium acetate
Resolution 3.18 Å R-free 0.261
5NBQ The structure of the tripartite complex between OspE, the C-terminal domains of factor H and C3dg Deposited 2017-03-02 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 994–1287（294 aa）
Mutation：A1153E, C1010A No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；20% PEG3350, 0.1 M HEPES pH 7.5, 0.2 M MgCl2 or 24% PEG3350, 0.1 M HEPES pH 7.5, 0.2 M MgCl2 or 16% PEG3350, Tris pH 8.5, 0.2 M ammonium acetate
Resolution 3.18 Å R-free 0.261
5NBQ The structure of the tripartite complex between OspE, the C-terminal domains of factor H and C3dg Deposited 2017-03-02 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain C 994–1287（294 aa）
Mutation：A1153E, C1010A No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；20% PEG3350, 0.1 M HEPES pH 7.5, 0.2 M MgCl2 or 24% PEG3350, 0.1 M HEPES pH 7.5, 0.2 M MgCl2 or 16% PEG3350, Tris pH 8.5, 0.2 M ammonium acetate
Resolution 3.18 Å R-free 0.261
5O32 The structure of complement complex Deposited 2017-05-23 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Heteromer；Protein × 10 PDB declaration: decameric
Chain A 23–667（645 aa） Fragment：beta chain, UNP residues 23-667
Chain B 749–1663（915 aa） Fragment：alpha chain, UNP residues 749-1663
Chain E 23–667（645 aa） Fragment：beta chain, UNP residues 23-667
Chain F 749–1663（915 aa） Fragment：alpha chain, UNP residues 749-1663
Not recorded CA CALCIUM ION × 6 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 12 MLI MALONATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；291.15 K；60mM sodium malonate PH5.0 6% w/v PEG3350
Resolution 4.21 Å R-free 0.254
5O35 Structure of complement proteins complex Deposited 2017-05-23 Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Heteromer；Protein × 3 PDB declaration: trimeric
Chain A 23–667（645 aa）
Chain B 749–1663（915 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；291.15 K；60mM Ammonium sulfate, 6% w/v PEG3350
Resolution 4.20 Å R-free 0.246
6EHG complement component C3b in complex with a nanobody Deposited 2017-09-13 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Heteromer；Protein × 3 PDB declaration: trimeric
Chain A 23–665（643 aa）
Chain B 749–1663（915 aa）
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293.15 K；12 mM Sodium Citrate pH 8, 28 mM Sodium Citrate pH 6.0, 12.25 % (w/v) PEG 2000 MME, 70 mM Imidazole pH 7, 60 mM Ammonium acetate, 70 mM Tris pH 8.5, 13.5 % (v/v) and (+/-)-2-Methyl-2,4-pentanediol
Resolution 2.65 Å
6RMT Crystal structure of disulphide-linked human C3d dimer Deposited 2019-05-07 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 996–1303（308 aa）
Chain B 996–1303（308 aa）
Not recorded CL CHLORIDE ION × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；291 K；100 mM Tris pH 8, 200 mM NaCl, 24% PEG 4000
Resolution 2.00 Å R-free 0.200
6RMU Crystal structure of disulphide-linked human C3d dimer in complex with Staphylococcus aureus complement subversion protein Sbi-IV Deposited 2019-05-07 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 996–1303（308 aa）
Chain B 996–1303（308 aa）
Not recorded PEG DI(HYDROXYETHYL)ETHER × 1 EDO 1,2-ETHANEDIOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.07；291 K；0.2 M sodium citrate tribasic dihydrate, 20% PEG 3350.
Resolution 2.40 Å R-free 0.211
6RU5 human complement C3 in complex with the hC3Nb1 nanobody Deposited 2019-05-27 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Heteromer；Protein × 3 PDB declaration: trimeric
Chain A 23–667（645 aa）
Chain B 672–1663（992 aa）
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；100 mM HEPES pH 7.2, 1.75 % (w/v) PEG8000
Resolution 3.90 Å
6RUR Structure of the SCIN stabilized C3bBb convertase bound to properdin Deposited 2019-05-29 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Heteromer；Protein × 12 PDB declaration: dodecameric
Chain A 23–667（645 aa）
Chain B 749–1663（915 aa）
Chain G 23–667（645 aa）
Chain H 749–1663（915 aa）
Not recorded MAN alpha-D-mannopyranose × 18 MG MAGNESIUM ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；277 K；50 mM MgAcetate 50 mM Mes 6.5 5 % w/v PEG 10K
Resolution 6.00 Å R-free 0.272
6RUV Structure of the SCIN stabilized C3bBb convertase bound to Properdin and a the non-inhibitory nanobody hFPNb1 Deposited 2019-05-29 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Heteromer；Protein × 14 PDB declaration: tetradecameric
Chain A 23–667（645 aa）
Chain B 749–1663（915 aa）
Chain G 23–667（645 aa）
Chain H 749–1663（915 aa）
Not recorded MAN alpha-D-mannopyranose × 21 MG MAGNESIUM ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.8；277 K；100 mM NaCl, 5 % (w/v) PEG4000, 10 mM MgCl2, 100 mM Sodium Cacodylate trihydrate pH 5.8.
Resolution 6.15 Å R-free 0.271
6S0B Crystal Structure of Properdin in complex with the CTC domain of C3/C3b Deposited 2019-06-14 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Heteromer；Protein × 3 PDB declaration: trimeric
Chain C 1517–1663（147 aa）
Not recorded MAN alpha-D-mannopyranose × 8 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5；291 K；Tacsimate, PEG 3350
Resolution 2.31 Å R-free 0.277
7AKK Structure of a complement factor-receptor complex Deposited 2020-10-01 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Heteromer；Protein × 6 PDB declaration: hexameric
Chain A 749–1663（915 aa）
Chain B 23–667（645 aa）
Chain C 23–667（645 aa）
Chain E 749–1663（915 aa）
Not recorded GOL GLYCEROL × 3 K POTASSIUM ION × 2 MG MAGNESIUM ION × 2 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8；295 K；100 mM Tris-HCl (pH 8.0), 8% (w/v) polyethylene glycol (PEG) 8000
Resolution 3.40 Å R-free 0.229
7BAG C3b in complex with CP40 Deposited 2020-12-15 Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Heteromer；Protein × 3 PDB declaration: trimeric
Chain A 23–667（645 aa）
Chain B 749–1663（915 aa）
Not recorded CA CALCIUM ION × 1 PEG DI(HYDROXYETHYL)ETHER × 5 ACM ACETAMIDE × 1 NH2 AMINO GROUP × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4；291 K；6.66% w/v polyethylene glycol 8000, 66.6 mM sodium chloride and 33.3 mM disodium phosphate/citric acid pH 4.0
Resolution 2.00 Å R-free 0.225
7NOZ Structure of the nanobody stablized properdin bound alternative pathway proconvertase C3b:FB:FP Deposited 2021-02-26 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Heteromer；Protein × 6 PDB declaration: hexameric
Chain A 23–667（645 aa）
Chain B 752–1663（912 aa）
Not recorded MAN alpha-D-mannopyranose × 6 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；0.05 M Na-acetate pH 5.3, 0.1 M Mg-formate,7% PEG5000 MME
Resolution 3.90 Å R-free 0.265
7PI6 Trypanosoma brucei ISG65 bound to human complement C3d Deposited 2021-08-19 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 996–1287（292 aa）
Not recorded GOL GLYCEROL × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291 K；0.1 M MES pH 6, 0.2 M MgCl2, 20% PEG 6000 with sliver bullet HR2-996-55
Resolution 2.60 Å R-free 0.310
7PI6 Trypanosoma brucei ISG65 bound to human complement C3d Deposited 2021-08-19 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain D 996–1287（292 aa）
Not recorded GOL GLYCEROL × 2 PG0 2-(2-METHOXYETHOXY)ETHANOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291 K；0.1 M MES pH 6, 0.2 M MgCl2, 20% PEG 6000 with sliver bullet HR2-996-55
Resolution 2.60 Å R-free 0.310
7QIV Structure of human C3b in complex with the EWE nanobody Deposited 2021-12-16 Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain A 23–667（645 aa）
Chain B 749–1663（915 aa）
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；292 K；112 mM Sodium Citrate pH 8, 28 mM Sodium Citrate pH 6.0, 12.25 % (w/v) PEG 2000 MME, 70 mM Imidazole pH 7, 60 mM Ammonium acetate, 70 mM TRIS pH 8.5, and 13.5 % (v/v) 2-Methyl-2,4-pentanediol
Resolution 2.80 Å R-free 0.275
7TV9 HUMAN COMPLEMENT COMPONENT C3B IN COMPLEX WITH APL-1030 Deposited 2022-02-04 Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Heteromer；Protein × 3 PDB declaration: trimeric
Chain A 23–667（645 aa）
Chain B 749–1663（915 aa）
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.8；293 K；100 mM HEPES, pH 7.8, 25% Poly(acrylic acid sodium salt) 5100
Resolution 3.40 Å R-free 0.328
7UE9 Structure of anti-C3d Fab(3d8b) in complex with C3d Deposited 2022-03-21 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain C 994–1303（310 aa）
Not recorded GOL GLYCEROL × 10 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.6；293 K；15% PEG 10,000, 0.1 M bicine pH 7.6
Resolution 1.75 Å R-free 0.201
7ZGJ Trypanosoma brucei gambiense ISG65 in complex with human complement component C3 Deposited 2022-04-03 Different construct Different oligomeric state Different ligand/ion Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain A 23–667（645 aa）
Chain B 672–1663（992 aa）
Not recorded No recorded non-water small molecule ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.58 Å
7ZGK Trypanosoma brucei gambiense ISG65 in complex with human complement component C3b Deposited 2022-04-03 Different oligomeric state Different ligand/ion Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain A 23–667（645 aa）
Chain B 749–1663（915 aa）
Not recorded No recorded non-water small molecule ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.59 Å
8ENU Structure of the C3bB proconvertase in complex with lufaxin Deposited 2022-09-30 Different oligomeric state Different ligand/ion Different structure-quality metrics Assembly 1 Other combination Heteromer；Protein × 4 PDB declaration: tetrameric
Chain G 23–667（645 aa）
Chain H 749–1663（915 aa）
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 4 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.22 Å
8HK2 C3aR-Gi-C3a protein complex Deposited 2022-11-24 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 6 PDB declaration: hexameric
Chain D 672–748（77 aa）
Not recorded CLR CHOLESTEROL × 5 PLM PALMITIC ACID × 2 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.2
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 2.90 Å
8I9L Structure of C3a-C3aR-Go complex (Composite map) Deposited 2023-02-07 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 6 PDB declaration: hexameric
Chain D 672–748（77 aa）
Not recorded No recorded non-water small molecule ELECTRON MICROSCOPY
cryo-EM buffer pH 7.4
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.18 Å
8OQ3 Structure of methylamine treated human complement C3 Deposited 2023-04-11 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 23–1663（1641 aa）
Chain D 23–1663（1641 aa）
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 ELECTRON MICROSCOPY
cryo-EM buffer pH 7
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 2.90 Å
8OVB Human Complement C3b in complex with Trypanosoma brucei ISG65. Deposited 2023-04-25 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain A 23–664（642 aa）
Chain B 749–1663（915 aa）
Not recorded No recorded non-water small molecule ELECTRON MICROSCOPY
cryo-EM buffer pH 7.4
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.40 Å
8UH2 Complex of C3b with the inhibitor albicin Deposited 2023-10-06 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 6 PDB declaration: hexameric
Chain A 23–664（642 aa）
Chain B 749–1663（915 aa）
Chain G 23–664（642 aa）
Chain H 749–1663（915 aa）
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 4 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.4
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.59 Å
8UIN Structure of the C3bBb-albicin complex Deposited 2023-10-10 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Heteromer；Protein × 8 PDB declaration: octameric
Chain A 23–664（642 aa）
Chain B 749–1663（915 aa）
Chain G 23–664（642 aa）
Chain H 749–1663（915 aa）
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 3 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.4；10 mM Hepes pH 7.4, 150 mM NaCl, 5 mM MgCl2
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.86 Å
9N1Z Structure of C3d Bound to a Fragment of FHR-2 Deposited 2025-01-27 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 996–1287（292 aa）
Mutation：C1010A SO4 SULFATE ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；0.075 M HEPES [PH 7.5] 1.2 M Ammonium Sulfate
Resolution 2.31 Å R-free 0.227
9N1Z Structure of C3d Bound to a Fragment of FHR-2 Deposited 2025-01-27 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain C 996–1287（292 aa）
Mutation：C1010A SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；0.075 M HEPES [PH 7.5] 1.2 M Ammonium Sulfate
Resolution 2.31 Å R-free 0.227
9N20 Structure of C3d Bound to a Fragment of FHR-2 and S. aureus Efb-C Deposited 2025-01-27 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain A 996–1287（292 aa） Fragment：residues 996-1287
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；0.1 M imidazole [pH 6.7] 12% (w/v) peg-20k
Resolution 3.30 Å R-free 0.214
9QK2 Structure of the Complement classical and lectin pathway C3 convertase in complex with substrate C3 Deposited 2025-03-19 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 7 PDB declaration: heptameric
Chain F 1–1663（1663 aa）
Chain G 1–1663（1663 aa）
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 8 MG MAGNESIUM ION × 1 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.4
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.50 Å
9RBO A cryo-EM structure of native C3 protein in a compact conformation. Deposited 2025-05-27 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric
Chain A 32–227（196 aa）
Chain B 350–665（316 aa）
Chain C 686–734（49 aa）
Chain D 762–1663（902 aa）
Not recorded No recorded non-water small molecule ELECTRON MICROSCOPY mmCIF provides none of the parsed conditions Resolution 3.00 Å
9T3Y Cryo-EM structure of alphaM/beta2:C3d-anti-CR3-Nb headpiece complex (HPO2 3D class reconstruction) Deposited 2025-10-30 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Heteromer；Protein × 3 PDB declaration: trimeric
Chain C 995–1289（295 aa）
Not recorded CA CALCIUM ION × 5 MN MANGANESE (II) ION × 2 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 3 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE；0.02 % w/v CHAPS added to sample just before vitrification
Resolution 3.44 Å
9U61 CP/MBL pathways C3 convertase C4b2a and C3 complex Deposited 2025-03-22 Different construct Different oligomeric state Different ligand/ion Different structure-quality metrics Assembly 1 Other combination Heteromer；Protein × 4 PDB declaration: tetrameric
Chain C 1–1663（1663 aa）
Chain D 1–1663（1663 aa）
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 4 NI NICKEL (II) ION × 1 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.10 Å
9U62 AP pathways C3 convertase C3bBbP and C3 complex Deposited 2025-03-22 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Heteromer；Protein × 5 PDB declaration: pentameric
Chain C 1–1663（1663 aa）
Chain D 1–1663（1663 aa）
Chain E 1–1663（1663 aa）
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 5 NI NICKEL (II) ION × 1 ELECTRON MICROSCOPY
cryo-EM buffer pH 8
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 2.70 Å

74 other PDB entries and 117 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name CO3_HUMAN
Isoform —
PDB entities 1, 2
Chains and sequence ranges Author chain G； PDBConstruct 1–645； UniProt 23–667 Author chain H； PDBConstruct 1–915； UniProt 749–1663

Complement factor B

OrganismNot specified

UniProt P00751

State in the Current Structure

Assembly Oligomeric State Construct Mutations and Modifications Ligands, Ions and Associated Components Method and Experimental Conditions Structure Quality
1 Other combination Heteromer Protein × 6 其他Polymer 1 PDB declaration: hexameric（6） Consistent with protein copy count Chain D； UniProt 2–764 Not recorded Complement C3 beta chain × 1 （P01024） ;Complement C3b alpha' chain ; × 1 （P01024） Lufaxin × 1 （Q5WPU8） Factor X light chain × 1 （P00742） Activated factor Xa heavy chain × 1 （P00742） beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose × 1 MG MAGNESIUM ION × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 ELECTRON MICROSCOPY cryo-EM buffer：pH 7.5 cryo-EM vitrification conditions：Cryogen ETHANE Resolution 3.53 Å

Other States of the Same Protein in the Database

Each row is a biological assembly of the same UniProt protein in another PDB entry. The “Difference from current entry” column identifies evidence-level differences; no tag means the currently parsed fields agree.

Other PDB Difference from Current Entry 8EOK Assembly / Oligomeric State Construct Mutations and Modifications Ligands, Ions and Non-polymers Method and Experimental Conditions Structure Quality
1DLE FACTOR B SERINE PROTEASE DOMAIN Deposited 1999-12-09 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 470–764（295 aa） Fragment：SERINE PROTEASE DOMAIN
Chain B 470–764（295 aa） Fragment：SERINE PROTEASE DOMAIN
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；298 K；PEG-1000, MES, TRIS, SODIUM CHLORIDE, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 2.10 Å R-free 0.249
1Q0P A domain of Factor B Deposited 2003-07-17 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 254–476（223 aa） Fragment：sequence database residues 254-476
Mutation：C267S MN MANGANESE (II) ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；277 K；30% Jeffamine, 0.05M Ceseium Chloride, 0.1M MES, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K
Resolution 1.80 Å R-free 0.259
1RRK Crystal Structure Analysis of the Bb segment of Factor B Deposited 2003-12-08 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 243–764（522 aa） Fragment：COMPLEMENT FACTOR B BB FRAGMENT
Mutation：F428C, N435C, C267V IOD IODIDE ION × 2 NA SODIUM ION × 7 CO COBALT (II) ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；298 K；PEGMME 2000, NaI, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K
Resolution 2.00 Å R-free 0.245
1RS0 Crystal Structure Analysis of the Bb segment of Factor B complexed with Di-isopropyl-phosphate (DIP) Deposited 2003-12-09 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 268–764（497 aa） Fragment：COMPLEMENT FACTOR B BB FRAGMENT
Mutation：F428C, N435C, C267V IOD IODIDE ION × 2 NA SODIUM ION × 7 MG MAGNESIUM ION × 1 DFP DIISOPROPYL PHOSPHONATE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；298 K；PEGMME 2000, NaI, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K
Resolution 2.60 Å R-free 0.251
1RTK Crystal Structure Analysis of the Bb segment of Factor B complexed with 4-guanidinobenzoic acid Deposited 2003-12-10 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 268–764（497 aa） Fragment：COMPLEMENT FACTOR B BB FRAGMENT
Mutation：F428C, N435C, C267V IOD IODIDE ION × 2 NA SODIUM ION × 7 MG MAGNESIUM ION × 1 GBS 4-carbamimidamidobenzoic acid × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；298 K；PEGMME 2000, NaI, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 2.30 Å R-free 0.245
2OK5 Human Complement factor B Deposited 2007-01-16 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Monomer；Protein × 1 PDB declaration: monomeric
Chain A 26–764（739 aa）
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 GOL GLYCEROL × 13 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；12% PEG 1500, 0.02 M Malic acid, 0.04 M MES, 0.04 M TRIS, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.30 Å R-free 0.241
2WIN C3 convertase (C3bBb) stabilized by SCIN Deposited 2009-05-13 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Heteromer；Protein × 8 PDB declaration: octameric
Chain J 260–764（505 aa） Fragment：COMPLEMENT FACTOR B BB FRAGMENT, RESIDUES 260-764
Chain L 260–764（505 aa） Fragment：COMPLEMENT FACTOR B BB FRAGMENT, RESIDUES 260-764
Not recorded MAN alpha-D-mannopyranose × 1 BMA beta-D-mannopyranose × 1 MG MAGNESIUM ION × 2 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 6.5；75 MM SODIUM/POTASSIUM TARTRATE, 8.0% PEG 3350, 50 MM BIS-TRIS PROPANE, PH 6.5
Resolution 3.90 Å R-free 0.268
2WIN C3 convertase (C3bBb) stabilized by SCIN Deposited 2009-05-13 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Other combination Heteromer；Protein × 8 PDB declaration: octameric
Chain I 260–764（505 aa） Fragment：COMPLEMENT FACTOR B BB FRAGMENT, RESIDUES 260-764
Chain K 260–764（505 aa） Fragment：COMPLEMENT FACTOR B BB FRAGMENT, RESIDUES 260-764
Not recorded BMA beta-D-mannopyranose × 1 MG MAGNESIUM ION × 2 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 6.5；75 MM SODIUM/POTASSIUM TARTRATE, 8.0% PEG 3350, 50 MM BIS-TRIS PROPANE, PH 6.5
Resolution 3.90 Å R-free 0.268
2XWB Crystal Structure of Complement C3b in complex with Factors B and D Deposited 2010-11-01 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Heteromer；Protein × 4 PDB declaration: tetrameric
Chain F 35–764（730 aa） Fragment：RESIDUES 35-764
Mutation：YES MG MAGNESIUM ION × 2 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 7.7；PH 7.7
Resolution 3.49 Å R-free 0.244
2XWB Crystal Structure of Complement C3b in complex with Factors B and D Deposited 2010-11-01 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Other combination Heteromer；Protein × 4 PDB declaration: tetrameric
Chain H 35–764（730 aa） Fragment：RESIDUES 35-764
Mutation：YES MG MAGNESIUM ION × 2 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 3 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 7.7；PH 7.7
Resolution 3.49 Å R-free 0.244
2XWB Crystal Structure of Complement C3b in complex with Factors B and D Deposited 2010-11-01 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 3 Other combination Heteromer；Protein × 4 PDB declaration: tetrameric
Chain H 35–764（730 aa） Fragment：RESIDUES 35-764
Mutation：YES MG MAGNESIUM ION × 2 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 3 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 7.7；PH 7.7
Resolution 3.49 Å R-free 0.244
2XWB Crystal Structure of Complement C3b in complex with Factors B and D Deposited 2010-11-01 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 4 Other combination Heteromer；Protein × 4 PDB declaration: tetrameric
Chain F 35–764（730 aa） Fragment：RESIDUES 35-764
Mutation：YES MG MAGNESIUM ION × 2 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 7.7；PH 7.7
Resolution 3.49 Å R-free 0.244
2XWJ Crystal Structure of Complement C3b in Complex with Factor B Deposited 2010-11-04 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain I 26–764（739 aa） Fragment：COMPLEMENT FACTOR B
Mutation：YES NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 NI NICKEL (II) ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 4；pH 4.0
Resolution 4.00 Å R-free 0.281
2XWJ Crystal Structure of Complement C3b in Complex with Factor B Deposited 2010-11-04 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain J 26–764（739 aa） Fragment：COMPLEMENT FACTOR B
Mutation：YES NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 NI NICKEL (II) ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 4；pH 4.0
Resolution 4.00 Å R-free 0.281
2XWJ Crystal Structure of Complement C3b in Complex with Factor B Deposited 2010-11-04 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain L 26–764（739 aa） Fragment：COMPLEMENT FACTOR B
Mutation：YES NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 NI NICKEL (II) ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 4；pH 4.0
Resolution 4.00 Å R-free 0.281
2XWJ Crystal Structure of Complement C3b in Complex with Factor B Deposited 2010-11-04 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 4 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain K 26–764（739 aa） Fragment：COMPLEMENT FACTOR B
Mutation：YES NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 NI NICKEL (II) ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 4；pH 4.0
Resolution 4.00 Å R-free 0.281
3HRZ Cobra Venom Factor (CVF) in complex with human factor B Deposited 2009-06-10 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Heteromer；Protein × 4 PDB declaration: tetrameric
Chain D 26–764（739 aa） Fragment：residues 26-764
Mutation：D279G,N285D NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 3 MG MAGNESIUM ION × 2 K POTASSIUM ION × 1 P6G HEXAETHYLENE GLYCOL × 2 PO4 PHOSPHATE ION × 5 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；291 K；PEG 3350, PEG 400, Na/K Phosphate, Bis-Tris propane, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 291K
Resolution 2.20 Å R-free 0.226
3HS0 Cobra Venom Factor (CVF) in complex with human factor B Deposited 2009-06-10 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Heteromer；Protein × 4 PDB declaration: tetrameric
Chain I 26–764（739 aa） Fragment：residues 26-764
Mutation：D279G,N285D NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 3 MG MAGNESIUM ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 9；291 K；PEG 1500, 2,3 butanediol, malic acid 2-(N-morpholino)ethanesulfonic acid tris (hydroxymethyl)aminomethane buffer (MMT), pH 9.0, VAPOR DIFFUSION, SITTING DROP, temperature 291K
Resolution 3.00 Å R-free 0.243
3HS0 Cobra Venom Factor (CVF) in complex with human factor B Deposited 2009-06-10 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Other combination Heteromer；Protein × 4 PDB declaration: tetrameric
Chain D 26–764（739 aa） Fragment：residues 26-764
Mutation：D279G,N285D NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 4 MG MAGNESIUM ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 9；291 K；PEG 1500, 2,3 butanediol, malic acid 2-(N-morpholino)ethanesulfonic acid tris (hydroxymethyl)aminomethane buffer (MMT), pH 9.0, VAPOR DIFFUSION, SITTING DROP, temperature 291K
Resolution 3.00 Å R-free 0.243
3HS0 Cobra Venom Factor (CVF) in complex with human factor B Deposited 2009-06-10 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 3 Other combination Heteromer；Protein × 8 PDB declaration: octameric
Chain D 26–764（739 aa） Fragment：residues 26-764
Chain I 26–764（739 aa） Fragment：residues 26-764
Mutation：D279G,N285D Mutation：D279G,N285D NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 7 MG MAGNESIUM ION × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 9；291 K；PEG 1500, 2,3 butanediol, malic acid 2-(N-morpholino)ethanesulfonic acid tris (hydroxymethyl)aminomethane buffer (MMT), pH 9.0, VAPOR DIFFUSION, SITTING DROP, temperature 291K
Resolution 3.00 Å R-free 0.243
6QSW Complement factor B protease domain in complex with the reversible inhibitor N-(2-bromo-4-methylnaphthalen-1-yl)-4,5-dihydro-1H-imidazol-2-amine. Deposited 2019-02-22 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain AAA 474–764（291 aa）
Not recorded SO4 SULFATE ION × 3 JGT ~{N}-(2-bromanyl-4-methyl-naphthalen-1-yl)-4,5-dihydro-1~{H}-imidazol-2-amine × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；2.0 M ammonium sulfate, 0.1 M sodium acetate (pH 4.6), 2 mM inhibitor
Resolution 1.64 Å R-free 0.188
6QSW Complement factor B protease domain in complex with the reversible inhibitor N-(2-bromo-4-methylnaphthalen-1-yl)-4,5-dihydro-1H-imidazol-2-amine. Deposited 2019-02-22 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain BBB 474–764（291 aa）
Not recorded SO4 SULFATE ION × 4 JGT ~{N}-(2-bromanyl-4-methyl-naphthalen-1-yl)-4,5-dihydro-1~{H}-imidazol-2-amine × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；2.0 M ammonium sulfate, 0.1 M sodium acetate (pH 4.6), 2 mM inhibitor
Resolution 1.64 Å R-free 0.188
6QSW Complement factor B protease domain in complex with the reversible inhibitor N-(2-bromo-4-methylnaphthalen-1-yl)-4,5-dihydro-1H-imidazol-2-amine. Deposited 2019-02-22 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain CCC 474–764（291 aa）
Not recorded SO4 SULFATE ION × 3 JGT ~{N}-(2-bromanyl-4-methyl-naphthalen-1-yl)-4,5-dihydro-1~{H}-imidazol-2-amine × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；2.0 M ammonium sulfate, 0.1 M sodium acetate (pH 4.6), 2 mM inhibitor
Resolution 1.64 Å R-free 0.188
6QSX Complement factor B protease domain in complex with the reversible inhibitor ((2S,4S)-1-((5,7-dimethyl-1H-indol-4-yl)methyl)-4-methoxypiperidin-2-yl)methanol. Deposited 2019-02-22 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain AAA 474–764（291 aa）
Not recorded SO4 SULFATE ION × 3 JGN [(2~{S},4~{S})-1-[(5,7-dimethyl-1~{H}-indol-4-yl)methyl]-4-methoxy-piperidin-2-yl]methanol × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；2.5 M ammonium sulfate, 0.1 mM sodium acetate (pH 4.6), 2 mM inhibitor
Resolution 1.77 Å R-free 0.220
6QSX Complement factor B protease domain in complex with the reversible inhibitor ((2S,4S)-1-((5,7-dimethyl-1H-indol-4-yl)methyl)-4-methoxypiperidin-2-yl)methanol. Deposited 2019-02-22 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain BBB 474–764（291 aa）
Not recorded SO4 SULFATE ION × 4 JGN [(2~{S},4~{S})-1-[(5,7-dimethyl-1~{H}-indol-4-yl)methyl]-4-methoxy-piperidin-2-yl]methanol × 1 ZN ZINC ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；2.5 M ammonium sulfate, 0.1 mM sodium acetate (pH 4.6), 2 mM inhibitor
Resolution 1.77 Å R-free 0.220
6RAV Complement factor B protease domain in complex with the reversible inhibitor 4-((2S,4S)-4-ethoxy-1-((5-methoxy-7-methyl-1H-indol-4-yl)methyl)piperidin-2-yl)benzoic acid Deposited 2019-04-08 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain AAA 474–764（291 aa）
Not recorded SO4 SULFATE ION × 2 JGQ 4-[(2~{S},4~{S})-4-ethoxy-1-[(5-methoxy-7-methyl-1~{H}-indol-4-yl)methyl]piperidin-2-yl]benzoic acid × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；24 % (w/v) PEG3350, 0.2 M ammonium acetate, 0.1 M Bis-Tris (pH 5.5), 2mM inhibitor
Resolution 1.70 Å R-free 0.227
6RAV Complement factor B protease domain in complex with the reversible inhibitor 4-((2S,4S)-4-ethoxy-1-((5-methoxy-7-methyl-1H-indol-4-yl)methyl)piperidin-2-yl)benzoic acid Deposited 2019-04-08 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain BBB 474–764（291 aa）
Not recorded SO4 SULFATE ION × 3 JGQ 4-[(2~{S},4~{S})-4-ethoxy-1-[(5-methoxy-7-methyl-1~{H}-indol-4-yl)methyl]piperidin-2-yl]benzoic acid × 1 ZN ZINC ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；24 % (w/v) PEG3350, 0.2 M ammonium acetate, 0.1 M Bis-Tris (pH 5.5), 2mM inhibitor
Resolution 1.70 Å R-free 0.227
6RUR Structure of the SCIN stabilized C3bBb convertase bound to properdin Deposited 2019-05-29 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Heteromer；Protein × 12 PDB declaration: dodecameric
Chain J 260–764（505 aa）
Chain L 260–764（505 aa）
Not recorded MAN alpha-D-mannopyranose × 18 MG MAGNESIUM ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；277 K；50 mM MgAcetate 50 mM Mes 6.5 5 % w/v PEG 10K
Resolution 6.00 Å R-free 0.272
6RUV Structure of the SCIN stabilized C3bBb convertase bound to Properdin and a the non-inhibitory nanobody hFPNb1 Deposited 2019-05-29 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Heteromer；Protein × 14 PDB declaration: tetradecameric
Chain J 260–764（505 aa）
Chain L 260–764（505 aa）
Not recorded MAN alpha-D-mannopyranose × 21 MG MAGNESIUM ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.8；277 K；100 mM NaCl, 5 % (w/v) PEG4000, 10 mM MgCl2, 100 mM Sodium Cacodylate trihydrate pH 5.8.
Resolution 6.15 Å R-free 0.271
6T8U Complement factor B in complex with 5-Bromo-3-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-7-methyl-1H-indol-4-amine Deposited 2019-10-25 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain AAA 474–764（291 aa）
Not recorded MVZ 5-bromanyl-3-chloranyl-~{N}-(1~{H}-imidazol-2-yl)-7-methyl-1~{H}-indol-4-amine × 1 SO4 SULFATE ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；298 K；2.4M AMMONIUM SULPHATE, 0.1 M SODIUM ACETATE PH 4.6
Resolution 2.84 Å R-free 0.239
6T8U Complement factor B in complex with 5-Bromo-3-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-7-methyl-1H-indol-4-amine Deposited 2019-10-25 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain BBB 474–764（291 aa）
Not recorded MVZ 5-bromanyl-3-chloranyl-~{N}-(1~{H}-imidazol-2-yl)-7-methyl-1~{H}-indol-4-amine × 1 SO4 SULFATE ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；298 K；2.4M AMMONIUM SULPHATE, 0.1 M SODIUM ACETATE PH 4.6
Resolution 2.84 Å R-free 0.239
6T8U Complement factor B in complex with 5-Bromo-3-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-7-methyl-1H-indol-4-amine Deposited 2019-10-25 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain CCC 474–764（291 aa）
Not recorded MVZ 5-bromanyl-3-chloranyl-~{N}-(1~{H}-imidazol-2-yl)-7-methyl-1~{H}-indol-4-amine × 1 SO4 SULFATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；298 K；2.4M AMMONIUM SULPHATE, 0.1 M SODIUM ACETATE PH 4.6
Resolution 2.84 Å R-free 0.239
6T8V Complement factor B in complex with (S)-5,7-Dimethyl-4-((2-phenylpiperidin-1-yl)methyl)-1H-indole Deposited 2019-10-25 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain AAA 474–764（291 aa）
Not recorded SO4 SULFATE ION × 2 MVK 4-[(2~{S})-1-[(5,7-dimethyl-1~{H}-indol-4-yl)methyl]piperidin-2-yl]benzoic acid × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；298 K；25% PEG3350, 0.1M HEPES PH 7.5, 5 mM inhibitor
Resolution 2.29 Å R-free 0.254
6T8V Complement factor B in complex with (S)-5,7-Dimethyl-4-((2-phenylpiperidin-1-yl)methyl)-1H-indole Deposited 2019-10-25 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain BBB 474–764（291 aa）
Not recorded SO4 SULFATE ION × 3 MVK 4-[(2~{S})-1-[(5,7-dimethyl-1~{H}-indol-4-yl)methyl]piperidin-2-yl]benzoic acid × 1 ZN ZINC ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；298 K；25% PEG3350, 0.1M HEPES PH 7.5, 5 mM inhibitor
Resolution 2.29 Å R-free 0.254
6T8W Complement factor B in complex with (-)-4-(1-((5,7-Dimethyl-1H-indol-4-yl)methyl)piperidin-2-yl)benzoic acid Deposited 2019-10-25 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain AAA 474–764（291 aa）
Not recorded SO4 SULFATE ION × 2 MVW 5,7-dimethyl-4-[[(2~{S})-2-phenylpiperidin-1-yl]methyl]-1~{H}-indole × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；298 K；25% PEG3350, 0.1M BIS-TRIS PH 6.5, 0.2M AMMONIUM SULFATE, 0.1 MM ZNCL2, 1 mM inhibitor
Resolution 1.70 Å R-free 0.238
6T8W Complement factor B in complex with (-)-4-(1-((5,7-Dimethyl-1H-indol-4-yl)methyl)piperidin-2-yl)benzoic acid Deposited 2019-10-25 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain BBB 474–764（291 aa）
Not recorded SO4 SULFATE ION × 3 MVW 5,7-dimethyl-4-[[(2~{S})-2-phenylpiperidin-1-yl]methyl]-1~{H}-indole × 1 ZN ZINC ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；298 K；25% PEG3350, 0.1M BIS-TRIS PH 6.5, 0.2M AMMONIUM SULFATE, 0.1 MM ZNCL2, 1 mM inhibitor
Resolution 1.70 Å R-free 0.238
7JTN Human Complement Factor B Inhibited by a Slow Off-Rate Modified Aptamer of 29 Bases Deposited 2020-08-18 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein–DNA Monomer；Protein × 1 PDB declaration: dimeric
Chain A 1–764（764 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；0.1 M bis-tris, 0.2 M ammonium acetate, 25% peg-3350
Resolution 3.10 Å R-free 0.241
7JTN Human Complement Factor B Inhibited by a Slow Off-Rate Modified Aptamer of 29 Bases Deposited 2020-08-18 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein–DNA Monomer；Protein × 1 PDB declaration: dimeric
Chain C 1–764（764 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；0.1 M bis-tris, 0.2 M ammonium acetate, 25% peg-3350
Resolution 3.10 Å R-free 0.241
7JTQ Human Complement Factor B Inhibited by a Slow Off-Rate Modified Aptamer of 31 Bases Deposited 2020-08-18 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein–DNA Monomer；Protein × 1 PDB declaration: dimeric
Chain A 1–764（764 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；0.1 M HEPES (pH 7.5), 0.2 M ammonium acetate, 25% (w/v) peg-3350
Resolution 3.50 Å R-free 0.257
7JTQ Human Complement Factor B Inhibited by a Slow Off-Rate Modified Aptamer of 31 Bases Deposited 2020-08-18 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein–DNA Monomer；Protein × 1 PDB declaration: dimeric
Chain C 1–764（764 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；0.1 M HEPES (pH 7.5), 0.2 M ammonium acetate, 25% (w/v) peg-3350
Resolution 3.50 Å R-free 0.257
7NOZ Structure of the nanobody stablized properdin bound alternative pathway proconvertase C3b:FB:FP Deposited 2021-02-26 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Heteromer；Protein × 6 PDB declaration: hexameric
Chain F 35–764（730 aa）
Mutation：D279G MAN alpha-D-mannopyranose × 6 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；0.05 M Na-acetate pH 5.3, 0.1 M Mg-formate,7% PEG5000 MME
Resolution 3.90 Å R-free 0.265
8ENU Structure of the C3bB proconvertase in complex with lufaxin Deposited 2022-09-30 Different oligomeric state Different ligand/ion Different structure-quality metrics Assembly 1 Other combination Heteromer；Protein × 4 PDB declaration: tetrameric
Chain D 2–764（763 aa）
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 4 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.22 Å
8UIN Structure of the C3bBb-albicin complex Deposited 2023-10-10 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Heteromer；Protein × 8 PDB declaration: octameric
Chain J 260–487（228 aa）
Chain X 260–487（228 aa）
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 3 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.4；10 mM Hepes pH 7.4, 150 mM NaCl, 5 mM MgCl2
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.86 Å
9U62 AP pathways C3 convertase C3bBbP and C3 complex Deposited 2025-03-22 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 260–764（505 aa）
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 5 NI NICKEL (II) ION × 1 ELECTRON MICROSCOPY
cryo-EM buffer pH 8
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 2.70 Å

25 other PDB entries and 44 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name CFAB_HUMAN
Isoform —
PDB entities 3
Chains and sequence ranges Author chain D； PDBConstruct 1–763； UniProt 2–764

Lufaxin

Lutzomyia longipalpis

UniProt Q5WPU8

State in the Current Structure

Assembly Oligomeric State Construct Mutations and Modifications Ligands, Ions and Associated Components Method and Experimental Conditions Structure Quality
1 Other combination Heteromer Protein × 6 其他Polymer 1 PDB declaration: hexameric（6） Consistent with protein copy count Chain A； UniProt 24–301 Not recorded Complement C3 beta chain × 1 （P01024） ;Complement C3b alpha' chain ; × 1 （P01024） Complement factor B × 1 （P00751） Factor X light chain × 1 （P00742） Activated factor Xa heavy chain × 1 （P00742） beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose × 1 MG MAGNESIUM ION × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 ELECTRON MICROSCOPY cryo-EM buffer：pH 7.5 cryo-EM vitrification conditions：Cryogen ETHANE Resolution 3.53 Å

Other States of the Same Protein in the Database

Each row is a biological assembly of the same UniProt protein in another PDB entry. The “Difference from current entry” column identifies evidence-level differences; no tag means the currently parsed fields agree.

Other PDB Difference from Current Entry 8EOK Assembly / Oligomeric State Construct Mutations and Modifications Ligands, Ions and Non-polymers Method and Experimental Conditions Structure Quality
8ENU Structure of the C3bB proconvertase in complex with lufaxin Deposited 2022-09-30 Different oligomeric state Different ligand/ion Different structure-quality metrics Assembly 1 Other combination Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 24–301（278 aa）
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 4 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.22 Å
8EO2 Lufaxin a bifunctional inhibitor of complement and coagulation Deposited 2022-10-01 Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Monomer；Protein × 1 PDB declaration: monomeric
Chain A 24–301（278 aa）
Not recorded GOL GLYCEROL × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 BR BROMIDE ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；298 K；10% PEG 6000, 100 mM Tris HCl, pH 7.0
Resolution 2.31 Å R-free 0.255
8EO2 Lufaxin a bifunctional inhibitor of complement and coagulation Deposited 2022-10-01 Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Other combination Monomer；Protein × 1 PDB declaration: monomeric
Chain B 24–301（278 aa）
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 BR BROMIDE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；298 K；10% PEG 6000, 100 mM Tris HCl, pH 7.0
Resolution 2.31 Å R-free 0.255

2 other PDB entries and 3 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name LUFX_LUTLO
Isoform —
PDB entities 4
Chains and sequence ranges Author chain A； PDBConstruct 1–278； UniProt 24–301

Factor X light chain

OrganismNot specified

UniProt P00742

State in the Current Structure

Assembly Oligomeric State Construct Mutations and Modifications Ligands, Ions and Associated Components Method and Experimental Conditions Structure Quality
1 Other combination Heteromer Protein × 6 其他Polymer 1 PDB declaration: hexameric（6） Consistent with protein copy count Chain C； UniProt 235–488 Chain L； UniProt 46–179 Not recorded Complement C3 beta chain × 1 （P01024） ;Complement C3b alpha' chain ; × 1 （P01024） Complement factor B × 1 （P00751） Lufaxin × 1 （Q5WPU8） beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose × 1 MG MAGNESIUM ION × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 ELECTRON MICROSCOPY cryo-EM buffer：pH 7.5 cryo-EM vitrification conditions：Cryogen ETHANE Resolution 3.53 Å

Other States of the Same Protein in the Database

Each row is a biological assembly of the same UniProt protein in another PDB entry. The “Difference from current entry” column identifies evidence-level differences; no tag means the currently parsed fields agree.

Other PDB Difference from Current Entry 8EOK Assembly / Oligomeric State Construct Mutations and Modifications Ligands, Ions and Non-polymers Method and Experimental Conditions Structure Quality
1C5M STRUCTURAL BASIS FOR SELECTIVITY OF A SMALL MOLECULE, S1-BINDING, SUB-MICROMOLAR INHIBITOR OF UROKINASE TYPE PLASMINOGEN ACTIVATOR Deposited 1999-12-22 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain D 235–488（254 aa） Fragment：HEAVY CHAIN
Chain F 84–179（96 aa） Fragment：LIGHT CHAIN
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 7.5；crystallization conditions : Crystals of truncated human factor Xa were grown in hanging drops from equal volumes of protein solution (5.0 mg/ml in 20 mM Hepes, 50 mM ammonimum sulfate, pH 8.0) and well solution (25 % PEG 5K, 0.10 M Hepes, 0.2 M ammonium sulfate, pH 7.5)., VAPOR DIFFUSION
Resolution 1.95 Å R-free 0.307
1EZQ CRYSTAL STRUCTURE OF HUMAN COAGULATION FACTOR XA COMPLEXED WITH RPR128515 Deposited 2000-05-11 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 235–488（254 aa） Fragment：ACTIVATED FACTOR XA, HEAVY CHAIN
Chain B 46–179（134 aa） Fragment：FACTOR X LIGHT CHAIN
Not recorded CA CALCIUM ION × 1 RPR 3-[(3'-AMINOMETHYL-BIPHENYL-4-CARBONYL)-AMINO]-2-(3-CARBAMIMIDOYL-BENZYL)-BUTYRIC ACID METHYL ESTER × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.7；292 K；18-20% PEG 600, 50mM Mes-NaOH, 1mM RPR128515, pH 5.7, VAPOR DIFFUSION, HANGING DROP, temperature 292K
Resolution 2.20 Å R-free 0.267
1F0R CRYSTAL STRUCTURE OF HUMAN COAGULATION FACTOR XA COMPLEXED WITH RPR208815 Deposited 2000-05-17 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 235–488（254 aa） Fragment：ACTIVATED FACTOR XA, HEAVY CHAIN
Chain B 46–179（134 aa） Fragment：FACTOR X LIGHT CHAIN
Not recorded CA CALCIUM ION × 1 815 THIENO[3,2-B]PYRIDINE-2-SULFONIC ACID [1-(1-AMINO-ISOQUINOLIN-7-YLMETHYL)-2-OXO-PYRROLDIN-3-YL]-AMIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.7；292 K；18-22%PEG 600, 50mM Mes-NaOH, pH 5.7, VAPOR DIFFUSION, HANGING DROP, temperature 292K
Resolution 2.10 Å R-free 0.263
1F0S Crystal Structure of Human Coagulation Factor XA Complexed with RPR208707 Deposited 2000-05-17 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 235–488（254 aa） Fragment：ACTIVATED FACTOR XA, HEAVY CHAIN
Chain B 46–179（134 aa） Fragment：FACTOR X LIGHT CHAIN
Not recorded CA CALCIUM ION × 1 PR2 THIENO[3,2-B]PYRIDINE-2-SULFONIC ACID [2-OXO-1-(1H-PYRROLO[2,3-C]PYRIDIN-2-YLMETHYL)-PYRROLIDIN-3-YL]-AMIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.7；292 K；18-22%PEG 600, 50mM Mes-NaOH, pH 5.7, VAPOR DIFFUSION, HANGING DROP, temperature 292K
Resolution 2.10 Å R-free 0.263
1FAX COAGULATION FACTOR XA INHIBITOR COMPLEX Deposited 1996-08-23 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 235–481（247 aa）
Chain L 84–179（96 aa）
Mutation：PROTEOLYTIC CLEAVAGE PRODUCT, GLA DOMAIN, RESIDUES 1 - 44 OF THE LIGHT CHAIN, ARE REMOVED Mutation：PROTEOLYTIC CLEAVAGE PRODUCT, GLA DOMAIN, RESIDUES 1 - 44 OF THE LIGHT CHAIN, ARE REMOVED CA CALCIUM ION × 1 DX9 (2S)-3-(7-carbamimidoylnaphthalen-2-yl)-2-[4-({(3R)-1-[(1Z)-ethanimidoyl]pyrrolidin-3-yl}oxy)phenyl]propanoic acid × 1 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 3.00 Å R-free 0.261
1FJS CRYSTAL STRUCTURE OF THE INHIBITOR ZK-807834 (CI-1031) COMPLEXED WITH FACTOR XA Deposited 2000-08-08 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 235–468（234 aa） Fragment：HEAVY CHAIN, CATALYTIC DOMAIN
Chain L 127–178（52 aa） Fragment：LIGHT CHAIN, EPIDERMAL GROWTH FACTOR LIKE DOMAIN
Not recorded CA CALCIUM ION × 1 CL CHLORIDE ION × 1 Z34 N-[2-[5-[AMINO(IMINO)METHYL]-2-HYDROXYPHENOXY]-3,5-DIFLUORO-6-[3-(4,5-DIHYDRO-1-METHYL-1H-IMIDAZOL-2-YL)PHENOXY]PYRIDIN-4-YL]-N-METHYLGLYCINE × 1 GOL GLYCEROL × 6 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 8；295 K；Drop; 2 microliter, 12 mg/ml Factor Xa, 50 mM Tris pH 8.0, 75 mM NaCl + 2 microlter reservoir: Reservoir; 15-21% PEG-1500 and 10mM CaCl2, VAPOR DIFFUSION, temperature 295K
Resolution 1.92 Å R-free 0.256
1G2L FACTOR XA INHIBITOR COMPLEX Deposited 2000-10-20 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 235–469（235 aa） Fragment：CATALYTIC DOMAIN
Chain B 86–179（94 aa） Fragment：DES-GLA FRAGMENT
Not recorded CA CALCIUM ION × 1 T87 [(1-{2[(4-CARBAMIMIDOYL-PHENYLAMINO)-METHYL]-1-METHYL-1H-BENZOIMIDAZOL-5-YL}-CYCLOPROPYL)-PYRIDIN-2-YL-METHYLENEAMINOOXY]-ACETIC ACID ETHYL ESTER × 1 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 1.90 Å R-free 0.272
1G2M FACTOR XA INHIBITOR COMPLEX Deposited 2000-10-20 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 235–469（235 aa） Fragment：CATALYTIC DOMAIN
Chain B 86–179（94 aa） Fragment：DES-GLA FRAGMENT
Not recorded CA CALCIUM ION × 1 R11 4-{[1-METHYL-5-(2-METHYL-BENZOIMIDAZOL-1-YLMETHYL)-1H-BENZOIMIDAZOL-2-YLMETHYL]-AMINO}-BENZAMIDINE × 1 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 3.02 Å R-free 0.278
1HCG STRUCTURE OF HUMAN DES(1-45) FACTOR XA AT 2.2 ANGSTROMS RESOLUTION Deposited 1993-05-05 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 235–475（241 aa）
Chain B 129–179（51 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 2.20 Å
1IOE Human coagulation factor Xa in complex with M55532 Deposited 2001-03-08 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 235–469（235 aa） Fragment：HEAVY CHAIN, CATALYTIC DOMAIN (RESIDUES 235-469)
Chain L 84–179（96 aa） Fragment：LIGHT CHAIN, EPIDERMAL GROWTH FACTOR LIKE DOMAIN (RESIDUES 84-179)
Not recorded CA CALCIUM ION × 1 XMA (-)-7-[(6-CHLORO-2-NAPHTHALENYL)SULFONYL]TETRAHYDRO-8A-(METHOXYMETHYL)-1'-(4-PYRIDINYL)-SPIRO[5H-OXAZOLO[3,2-A]PYRAZINE-2(3H),4'-PIPERIDIN]-5-ONE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.2；293 K；PEG1500, CALCIUM CHLORIDE, M55532,TRIS-HCL, pH 7.20, VAPOR DIFFUSION, SITTING DROP, temperature 293.0K
Resolution 2.90 Å R-free 0.295
1IQE Human coagulation factor Xa in complex with M55590 Deposited 2001-07-23 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 235–469（235 aa） Fragment：heavy chain, catalytic domain (residues 235-469)
Chain L 84–179（96 aa） Fragment：light chain, epidermal growth factor like domain (residues 84-179)
Not recorded CA CALCIUM ION × 1 XMB 4-[(2R)-3-[[(6-CHLORO-2-NAPHTHALENYL)SULFONYL]AMINO]-1-OXO-2-[[[1-(4-PYRIDINYL)-4-PIPERIDINYL]METHYL]AMINO]PROPYL]-THIOMORPHOLINE-1,1-DIOXIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.2；293 K；PEG1500, calcium chloride, M55590, tris-HCl, pH 7.2, VAPOR DIFFUSION, SITTING DROP, temperature 293K
Resolution 2.90 Å R-free 0.297
1IQF Human coagulation factor Xa in complex with M55165 Deposited 2001-07-23 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 235–469（235 aa） Fragment：heavy chain, catalytic domain (residues 235-469)
Chain L 84–179（96 aa） Fragment：light chain, epidermal growth factor like domain (residues 84-179)
Not recorded CA CALCIUM ION × 1 XMD (2R)-4-[(6-CHLORO-2-NAPHTHALENYL)SULFONYL]-6-OXO-1-[[1-(4-PYRIDINYL)-4-PIPERIDINYL]METHYL]-2-PIPERAZINECARBOXYLIC ACID ETHYL ESTER × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.2；293 K；PEG1500, calcium chloride, M55165, tris-HCl, pH 7.2, VAPOR DIFFUSION, SITTING DROP, temperature 293K
Resolution 3.20 Å R-free 0.277
1IQG Human coagulation factor Xa in complex with M55159 Deposited 2001-07-23 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 235–469（235 aa） Fragment：heavy chain, catalytic domain (residues 235-469)
Chain L 84–179（96 aa） Fragment：light chain, epidermal growth factor like domain (residues 84-179)
Not recorded CA CALCIUM ION × 1 XME 4-[(6-CHLORO-2-NAPHTHALENYL)SULFONYL]-1-[[4-HYDROXYIMINOMETHYL-1-(4-PYRIDINYL)-4-PIPERIDINYL]METHYL]PIPERAZINONE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.2；293 K；PEG1500, calcium chloride, M55159, tris-HCl, pH 7.20, VAPOR DIFFUSION, SITTING DROP, temperature 293K
Resolution 2.60 Å R-free 0.271
1IQH Human coagulation factor Xa in complex with M55143 Deposited 2001-07-23 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 235–469（235 aa） Fragment：heavy chain, catalytic domain (residues 235-469)
Chain L 84–179（96 aa） Fragment：light chain, epidermal growth factor like domain (residues 84-179)
Not recorded CA CALCIUM ION × 1 XMF 4-[(6-CHLORO-2-NAPHTHALENYL)SULFONYL]-1-[[4-HYDROXYMETHYL-1-(4-PYRIDINYL)-4-PIPERIDINYL]METHYL]PIPERAZINONE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.2；293 K；PEG1500, calcium chloride, M55143, tris-HCl, pH 7.20, VAPOR DIFFUSION, SITTING DROP, temperature 293K
Resolution 3.00 Å R-free 0.286
1IQI Human coagulation factor Xa in complex with M55125 Deposited 2001-07-23 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 235–469（235 aa） Fragment：heavy chain, catalytic domain (residues 235-469)
Chain L 84–179（96 aa） Fragment：light chain, epidermal growth factor like domain (residues 84-179)
Not recorded CA CALCIUM ION × 1 XMG 4-[(6-CHLORO-2-NAPHTHALENYL)SULFONYL]-1-[[1-(4-PYRIDINYL)-4-PIPERIDINYL] METHYL]-2-PIPERAZINECARBOXYLIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.2；293 K；PEG1500, calcium chloride, M55125, tris-HCl, pH 7.20, VAPOR DIFFUSION, SITTING DROP, temperature 293K
Resolution 2.90 Å R-free 0.290
1IQJ Human coagulation factor Xa in complex with M55124 Deposited 2001-07-23 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 235–469（235 aa） Fragment：heavy chain, catalytic domain (residues 235-469)
Chain L 84–179（96 aa） Fragment：light chain, epidermal growth factor like domain (residues 84-179)
Not recorded CA CALCIUM ION × 1 XMH 4-[(6-CHLORO-2-NAPHTHALENYL)SULFONYL]-1-[[1-(4-PYRIDINYL)-4-PIPERIDINYL]METHYL]-2-PIPERAZINECARBOXYLIC ACID ETHYL ESTER × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.2；293 K；PEG1500, calcium chloride, M55124, tris-HCl, pH 7.20, VAPOR DIFFUSION, SITTING DROP, temperature 293K
Resolution 3.00 Å R-free 0.293
1IQK Human coagulation factor Xa in complex with M55113 Deposited 2001-07-23 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 235–469（235 aa） Fragment：heavy chain, catalytic domain (residues 235-469)
Chain L 84–179（96 aa） Fragment：light chain, epidermal growth factor like domain (residues 84-179)
Not recorded CA CALCIUM ION × 1 XMI 4-[(6-CHLORO-2-NAPHTHALENYL)SULFONYL]-1-[[1-(4-PYRIDINYL)-4-PIPERIDINYL]METHYL]PIPERAZINONE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.2；293 K；PEG1500, calcium chloride, M55113, tris-HCl, pH 7.20, VAPOR DIFFUSION, SITTING DROP, temperature 293K
Resolution 3.20 Å R-free 0.280
1IQL Human coagulation factor Xa in complex with M54476 Deposited 2001-07-23 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 235–469（235 aa） Fragment：heavy chain, catalytic domain (residues 235-469)
Chain L 84–179（96 aa） Fragment：light chain, epidermal growth factor like domain (residues 84-179)
Not recorded CA CALCIUM ION × 1 XMJ 4-[[(1E)-2-(4-CHLOROPHENYL)ETHENYL]SULFONYL]-1-[[1-(4-PYRIDINYL)-4-PIPERIDINYL]METHYL]PIPERAZINONE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.2；293 K；PEG1500, calcium chloride, M54476, tris-HCl, pH 7.20, VAPOR DIFFUSION, SITTING DROP, temperature 293K
Resolution 2.70 Å R-free 0.304
1IQM Human coagulation factor Xa in complex with M54471 Deposited 2001-07-23 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 235–469（235 aa） Fragment：heavy chain, catalytic domain (residues 235-469)
Chain L 84–179（96 aa） Fragment：light chain, epidermal growth factor like domain (residues 84-179)
Not recorded CA CALCIUM ION × 1 XMK 1-[[(1E)-2-(4-CHLOROPHENYL)ETHENYL]SULFONYL]-4-[[1-(4-PYRIDINYL)-4-PIPERIDINYL]METHYL]PIPERAZINE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.2；293 K；PEG1500, calcium chloride, M54471, tris-HCl, pH 7.20, VAPOR DIFFUSION, SITTING DROP, temperature 293K
Resolution 2.60 Å R-free 0.284
1IQN Human coagulation factor Xa in complex with M55192 Deposited 2001-07-23 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 235–469（235 aa） Fragment：heavy chain, catalytic domain (residues 235-469)
Chain L 84–179（96 aa） Fragment：light chain, epidermal growth factor like domain (residues 84-179)
Not recorded CA CALCIUM ION × 1 XMC 4-[[4-[(6-CHLORO-2-NAPHTHALENYL)SULFONYL]-6-OXO-1-[[1-(4-PYRIDINYL)-4-PIPERIDINYL]METHYL]-2-PIPERAZINYL]CARBONYL]MORPHOLINE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.2；293 K；PEG1500, calcium chloride, M55192, tris-HCl, pH 7.2, VAPOR DIFFUSION, SITTING DROP, temperature 293K
Resolution 2.60 Å R-free 0.254
1KSN Crystal Structure of Human Coagulation Factor XA Complexed with FXV673 Deposited 2002-01-14 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 235–488（254 aa） Fragment：ACTIVATED FACTOR XA, HEAVY CHAIN
Chain B 46–179（134 aa） Fragment：FACTOR X LIGHT CHAIN
Not recorded CA CALCIUM ION × 1 FXV METHYL-3-(4'-N-OXOPYRIDYLPHENOYL)-3-METHYL-2-(M-AMIDINOBENZYL)-PROPIONATE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.7；292 K；18-20% PEG 600, 50MM MES-NAOH, 1MM RPR128515, pH 5.7, VAPOR DIFFUSION, HANGING DROP, temperature 292K
Resolution 2.10 Å
1LPG CRYSTAL STRUCTURE OF FXA IN COMPLEX WITH 79. Deposited 2002-05-08 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 46–179（134 aa） Fragment：light chain
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.7；298 K；PEG600, MES, CaCl2, pH 5.7, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K
Resolution 2.00 Å R-free 0.288
1LPG CRYSTAL STRUCTURE OF FXA IN COMPLEX WITH 79. Deposited 2002-05-08 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 235–488（254 aa）
Not recorded CA CALCIUM ION × 1 IMA [4-({[5-BENZYLOXY-1-(3-CARBAMIMIDOYL-BENZYL)-1H-INDOLE-2-CARBONYL]-AMINO}-METHYL)-PHENYL]-TRIMETHYL-AMMONIUM × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.7；298 K；PEG600, MES, CaCl2, pH 5.7, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K
Resolution 2.00 Å R-free 0.288
1LPK CRYSTAL STRUCTURE OF FXA IN COMPLEX WITH 125. Deposited 2002-05-08 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 46–179（134 aa） Fragment：light chain
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.7；298 K；PEG600, MES, CaCl2, pH 5.7, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K
Resolution 2.20 Å R-free 0.280
1LPK CRYSTAL STRUCTURE OF FXA IN COMPLEX WITH 125. Deposited 2002-05-08 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 235–488（254 aa）
Not recorded CA CALCIUM ION × 1 CBB 1-(3-CARBAMIMIDOYL-BENZYL)-1H-INDOLE-2-CARBOXYLIC ACID 3-CARBAMIMIDOYL-BENZYLESTER × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.7；298 K；PEG600, MES, CaCl2, pH 5.7, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K
Resolution 2.20 Å R-free 0.280
1LPZ CRYSTAL STRUCTURE OF FXA IN COMPLEX WITH 41. Deposited 2002-05-08 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 46–179（134 aa） Fragment：light chain
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.7；298 K；PEG600, MES, CaCl2, pH 5.7, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K
Resolution 2.40 Å R-free 0.279
1LPZ CRYSTAL STRUCTURE OF FXA IN COMPLEX WITH 41. Deposited 2002-05-08 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 235–488（254 aa）
Not recorded CA CALCIUM ION × 1 CMB 1-(3-carbamimidoylbenzyl)-N-(3,5-dichlorobenzyl)-4-methyl-1H-indole-2-carboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.7；298 K；PEG600, MES, CaCl2, pH 5.7, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K
Resolution 2.40 Å R-free 0.279
1LQD CRYSTAL STRUCTURE OF FXA IN COMPLEX WITH 45. Deposited 2002-05-10 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 46–179（134 aa） Fragment：light chain
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.7；298 K；PEG600, MES, CaCl2, pH 5.7, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K
Resolution 2.70 Å R-free 0.295
1LQD CRYSTAL STRUCTURE OF FXA IN COMPLEX WITH 45. Deposited 2002-05-10 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 235–488（254 aa）
Not recorded CA CALCIUM ION × 1 CMI 1-(3-CARBAMIMIDOYL-BENZYL)-4-METHYL-1H-INDOLE-2-CARBOXYLIC ACID 3,5-DIMETHYL-BENZYLAMIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.7；298 K；PEG600, MES, CaCl2, pH 5.7, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K
Resolution 2.70 Å R-free 0.295
1MQ5 Crystal Structure of 3-chloro-N-[4-chloro-2-[[(4-chlorophenyl)amino]carbonyl]phenyl]-4-[(4-methyl-1-piperazinyl)methyl]-2-thiophenecarboxamide Complexed with Human Factor Xa Deposited 2002-09-13 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 235–467（233 aa） Fragment：CATALYTIC DOMAIN
Chain L 127–177（51 aa） Fragment：EPIDERMAL GROWTH FACTOR LIKE DOMAIN 2
Not recorded CA CALCIUM ION × 1 XLC 3-CHLORO-N-[4-CHLORO-2-[[(4-CHLOROPHENYL)AMINO]CARBONYL]PHENYL]-4-[(4-METHYL-1-PIPERAZINYL)METHYL]-2-THIOPHENECARBOXAMIDE × 1 GOL GLYCEROL × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；A THREE-FOLD EXCESS OF A PROPRIETARY FACTOR XA INHIBITOR WITH PICOMOLAR AFFINITY WAS ADDED TO THE DES-GLA-FACTOR XA. THIS INHIBITOR IS BASED ON THE SAME TEMPLATE AS XLC IN 1MQ5. THE PROTEIN WAS THEN CONCENTRATED TO 12-17 MG/ML. CRYSTALS WERE GROWN USING 2 UL OF COMPLEX WITH 2 UL OF RESERVOIR CONTAINING 15-21% PEG1500 AND 10 MM CACL2. 30-40 UL SITTING DROPS CONTAINING SATURATED INHIBITOR (5 MM) IN 21% PEG1500, 5 MM CACL2, 50 MM NACL, 50 MM TRIS PH 7.5 (CRYSTAL SOAKING SOLUTION) WERE EQUILIBRATED OVER A 1 ML RESERVOIR CONTAINING THE CRYSTAL SOAKING SOLUTION FOR 1 TO 2 DAYS. A SINGLE FACTOR XA CRYSTAL WAS TRANSFERRED USING A MOUNTED CRYOLOOP INTO ONE OF THESE SITTING DROPS AND ALLOWED TO SOAK FOR THREE OR MORE Days. AFTER THE INITIAL SOAK, EACH CRYSTAL WAS THEN TRANSFERRED TO AN UNUSED DROP AND ALLOWED TO SOAK FOR SECOND PERIOD OF THREE OR MORE DAYS. pH 7.50, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.10 Å R-free 0.264
1MQ6 Crystal Structure of 3-chloro-N-[4-chloro-2-[[(5-chloro-2-pyridinyl)amino]carbonyl]-6-methoxyphenyl]-4-[[(4,5-dihydro-2-oxazolyl)methylamino]methyl]-2-thiophenecarboxamide Complexed with Human Factor Xa Deposited 2002-09-13 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 235–467（233 aa） Fragment：CATALYTIC DOMAIN
Chain L 127–177（51 aa） Fragment：EPIDERMAL GROWTH FACTOR LIKE DOMAIN 2
Not recorded CA CALCIUM ION × 1 XLD 3-CHLORO-N-[4-CHLORO-2-[[(5-CHLORO-2-PYRIDINYL)AMINO]CARBONYL]-6-METHOXYPHENYL]-4-[[(4,5-DIHYDRO-2-OXAZOLYL)METHYLAMINO]METHYL]-2-THIOPHENECARBOXAMIDE × 1 GOL GLYCEROL × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；A THREE-FOLD EXCESS OF A PROPRIETARY FACTOR XA INHIBITOR WITH PICOMOLAR AFFINITY WAS ADDED TO THE DES-GLA-FACTOR XA. THIS INHIBITOR IS BASED ON THE SAME TEMPLATE AS XLD IN 1MQ6. THE PROTEIN WAS THEN CONCENTRATED TO 12-17 MG/ML. CRYSTALS WERE GROWN USING 2 UL OF COMPLEX WITH 2 UL OF RESERVOIR CONTAINING 15-21% PEG1500 AND 10 MM CACL2. 30-40 UL SITTING DROPS CONTAINING SATURATED INHIBITOR (5 MM) IN 21% PEG1500, 5 MM CACL2, 20 MM NACL, 25 MM TRIS PH 7.5 (CRYSTAL SOAKING SOLUTION) WERE EQUILIBRATED OVER A 1 ML RESERVOIR CONTAINING THE CRYSTAL SOAKING SOLUTION FOR 1 TO 2 DAYS. A SINGLE FACTOR XA CRYSTAL WAS TRANSFERRED USING A MOUNTED CRYOLOOP INTO ONE OF THESE SITTING DROPS AND ALLOWED TO SOAK FOR THREE OR MORE DAYS. AFTER THE INITIAL SOAK, EACH CRYSTAL WAS THEN TRANSFERRED TO AN UNUSED DROP AND ALLOWED TO SOAK FOR SECOND PERIOD OF THREE OR MORE DAYS. pH 7.50, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.10 Å R-free 0.268
1NFU CRYSTAL STRUCTURE OF HUMAN COAGULATION FACTOR XA COMPLEXED WITH RPR132747 Deposited 2002-12-16 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 235–488（254 aa）
Chain B 46–240（195 aa）
Not recorded CA CALCIUM ION × 1 RRP 3-({4-[(6-CHLORO-1-BENZOTHIEN-2-YL)SULFONYL]-2-OXOPIPERAZIN-1-YL}METHYL)BENZENECARBOXIMIDAMIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.7；292 K；18-20% PEG 600, 50MM MES-NAOH,1MM RPR132747, pH 5.7, VAPOR DIFFUSION, HANGING DROP, temperature 292K
Resolution 2.05 Å
1NFW CRYSTAL STRUCTURE OF HUMAN COAGULATION FACTOR XA COMPLEXED WITH RPR209685 Deposited 2002-12-16 Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 235–488（254 aa）
Chain B 46–179（134 aa）
Not recorded CA CALCIUM ION × 1 RRR 4-{[(E)-2-(5-CHLOROTHIEN-2-YL)VINYL]SULFONYL}-1-(1H-PYRROLO[3,2-C]PYRIDIN-2-YLMETHYL)PIPERAZIN-2-ONE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.7；292 K；18-20% PEG 600, 50MM MES-NAOH,1MM RPR209685, pH 5.70 , VAPOR DIFFUSION, HANGING DROP, temperature 292 K
Resolution 2.10 Å
1NFX CRYSTAL STRUCTURE OF HUMAN COAGULATION FACTOR XA COMPLEXED WITH RPR208944 Deposited 2002-12-16 Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 235–488（254 aa）
Chain B 46–179（134 aa）
Not recorded CA CALCIUM ION × 1 RDR 4-[(6-CHLORO-1-BENZOTHIEN-2-YL)SULFONYL]-1-{[1-(2-HYDROXYETHYL)-1H-PYRROLO[3,2-C]PYRIDIN-2-YL]METHYL}PIPERAZIN-2-ONE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.7；292 K；18-20% PEG 600, 50MM MES-NAOH,1MM RPR208944, pH 5.7, VAPOR DIFFUSION, HANGING DROP, temperature 292K
Resolution 2.15 Å
1NFY CRYSTAL STRUCTURE OF HUMAN COAGULATION FACTOR XA COMPLEXED WITH RPR200095 Deposited 2002-12-16 Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 235–488（254 aa）
Chain B 46–179（134 aa）
Not recorded CA CALCIUM ION × 1 RTR 4-({4-[(6-CHLORO-1-BENZOTHIEN-2-YL)SULFONYL]-2-OXOPIPERAZIN-1-YL}METHYL)BENZENECARBOXIMIDAMIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.7；292 K；18-20% PEG 600, 50MM MES-NAOH,1MM RPR200095, pH 5.70, VAPOR DIFFUSION, HANGING DROP, temperature 292K
Resolution 2.10 Å
1P0S Crystal Structure of Blood Coagulation Factor Xa in Complex with Ecotin M84R Deposited 2003-04-10 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 6 PDB declaration: hexameric
Chain H 235–488（254 aa） Fragment：Factor Xa Heavy Chain
Chain L 41–178（138 aa） Fragment：Factor Xa Light Chain
Non-standard monomer：Yes (specific site not provided by mmCIF) MG MAGNESIUM ION × 8 NA SODIUM ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.1；298 K；PEG 3350, sodium potassium tartrate, sodium chloride, magnesium chloride, glycerol, MPD , pH 7.1, VAPOR DIFFUSION, SITTING DROP, temperature 298K
Resolution 2.80 Å R-free 0.234
1V3X Factor Xa in complex with the inhibitor 1-[6-methyl-4,5,6,7-tetrahydrothiazolo(5,4-c)pyridin-2-yl] carbonyl-2-carbamoyl-4-(6-chloronaphth-2-ylsulphonyl)piperazine Deposited 2003-11-07 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 235–467（233 aa） Fragment：Residues 16-243
Chain B 127–178（52 aa） Fragment：Residues 87-138
Not recorded CA CALCIUM ION × 2 D76 (2R)-4-[(6-CHLORO-2-NAPHTHYL)SULFONYL]-1-[(5-METHYL-4,5,6,7-TETRAHYDRO[1,3]THIAZOLO[5,4-C]PYRIDIN-2-YL)CARBONYL]PIPERAZ INE-2-CARBOXAMIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions vapor diffusion, macro-seeding, Soaking；pH 5；293 K；PEG6000, sodium acetate, Malate imidazole, Calcium chloride, pH 5.00, vapor diffusion, macro-seeding, Soaking, temperature 293K
Resolution 2.20 Å R-free 0.233
1WU1 Factor Xa in complex with the inhibitor 4-[(5-chloroindol-2-yl)sulfonyl]-2-(2-methylpropyl)-1-[[5-(pyridin-4-yl) pyrimidin-2-yl]carbonyl]piperazine Deposited 2004-11-29 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 235–467（233 aa） Fragment：RESIDUES 16-243
Chain B 85–179（95 aa） Fragment：RESIDUES 85-138
Non-standard monomer：Yes (specific site not provided by mmCIF) CA CALCIUM ION × 2 D91 5-CHLORO-2-({3-ISOBUTYL-4-[(5-PYRIDIN-4-YLPYRIMIDIN-2-YL)CARBONYL]PIPERAZIN-1-YL}SULFONYL)-1H-INDOLE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5；293 K；PEG6000, NaAcetate, pH 5.00, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.30 Å R-free 0.235
1XKA FACTOR XA COMPLEXED WITH A SYNTHETIC INHIBITOR FX-2212A,(2S)-(3'-AMIDINO-3-BIPHENYLYL)-5-(4-PYRIDYLAMINO)PENTANOIC ACID Deposited 1998-03-19 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain C 235–469（235 aa） Fragment：PROTEOLYTIC CLEAVAGE PRODUCT, GLA DOMAIN
Chain L 85–179（95 aa） Fragment：PROTEOLYTIC CLEAVAGE PRODUCT, GLA DOMAIN
Non-standard monomer：Yes (specific site not provided by mmCIF) CA CALCIUM ION × 1 4PP (2S)-(3'-AMIDINO-3-BIPHENYL)-5-(4-PYRIDYLAMINO)PENTANOIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 5.5；pH 5.5
Resolution 2.30 Å R-free 0.287
1XKB FACTOR XA COMPLEXED WITH A SYNTHETIC INHIBITOR FX-2212A,(2S)-(3'-AMIDINO-3-BIPHENYLYL)-5-(4-PYRIDYLAMINO)PENTANOIC ACID Deposited 1998-03-19 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 85–179（95 aa） Fragment：PROTEOLYTIC CLEAVAGE PRODUCT, GLA DOMAIN
Chain C 235–469（235 aa） Fragment：PROTEOLYTIC CLEAVAGE PRODUCT, GLA DOMAIN
Non-standard monomer：Yes (specific site not provided by mmCIF) CA CALCIUM ION × 2 4PP (2S)-(3'-AMIDINO-3-BIPHENYL)-5-(4-PYRIDYLAMINO)PENTANOIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 6；pH 6.0
Resolution 2.40 Å R-free 0.294
1XKB FACTOR XA COMPLEXED WITH A SYNTHETIC INHIBITOR FX-2212A,(2S)-(3'-AMIDINO-3-BIPHENYLYL)-5-(4-PYRIDYLAMINO)PENTANOIC ACID Deposited 1998-03-19 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain B 85–179（95 aa） Fragment：PROTEOLYTIC CLEAVAGE PRODUCT, GLA DOMAIN
Chain D 235–469（235 aa） Fragment：PROTEOLYTIC CLEAVAGE PRODUCT, GLA DOMAIN
Non-standard monomer：Yes (specific site not provided by mmCIF) CA CALCIUM ION × 1 4PP (2S)-(3'-AMIDINO-3-BIPHENYL)-5-(4-PYRIDYLAMINO)PENTANOIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 6；pH 6.0
Resolution 2.40 Å R-free 0.294
1XKB FACTOR XA COMPLEXED WITH A SYNTHETIC INHIBITOR FX-2212A,(2S)-(3'-AMIDINO-3-BIPHENYLYL)-5-(4-PYRIDYLAMINO)PENTANOIC ACID Deposited 1998-03-19 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 3 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric
Chain A 85–179（95 aa） Fragment：PROTEOLYTIC CLEAVAGE PRODUCT, GLA DOMAIN
Chain B 85–179（95 aa） Fragment：PROTEOLYTIC CLEAVAGE PRODUCT, GLA DOMAIN
Chain C 235–469（235 aa） Fragment：PROTEOLYTIC CLEAVAGE PRODUCT, GLA DOMAIN
Chain D 235–469（235 aa） Fragment：PROTEOLYTIC CLEAVAGE PRODUCT, GLA DOMAIN
Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) CA CALCIUM ION × 3 4PP (2S)-(3'-AMIDINO-3-BIPHENYL)-5-(4-PYRIDYLAMINO)PENTANOIC ACID × 2 X-RAY DIFFRACTION
X-ray crystallization conditions pH 6；pH 6.0
Resolution 2.40 Å R-free 0.294
1XKB FACTOR XA COMPLEXED WITH A SYNTHETIC INHIBITOR FX-2212A,(2S)-(3'-AMIDINO-3-BIPHENYLYL)-5-(4-PYRIDYLAMINO)PENTANOIC ACID Deposited 1998-03-19 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 4 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric
Chain A 85–179（95 aa） Fragment：PROTEOLYTIC CLEAVAGE PRODUCT, GLA DOMAIN
Chain B 85–179（95 aa） Fragment：PROTEOLYTIC CLEAVAGE PRODUCT, GLA DOMAIN
Chain C 235–469（235 aa） Fragment：PROTEOLYTIC CLEAVAGE PRODUCT, GLA DOMAIN
Chain D 235–469（235 aa） Fragment：PROTEOLYTIC CLEAVAGE PRODUCT, GLA DOMAIN
Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) CA CALCIUM ION × 3 4PP (2S)-(3'-AMIDINO-3-BIPHENYL)-5-(4-PYRIDYLAMINO)PENTANOIC ACID × 2 X-RAY DIFFRACTION
X-ray crystallization conditions pH 6；pH 6.0
Resolution 2.40 Å R-free 0.294
1Z6E Factor XA in complex with the inhibitor 1-(3'-amino-1,2-benzisoxazol-5'-yl)-n-(4-(2'-((dimethylamino)methyl)-1h-imidazol-1-yl)-2-fluorophenyl)-3-(trifluoromethyl)-1h-pyrazole-5-carboxamide (razaxaban; DPC906; BMS-561389) Deposited 2005-03-22 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 235–468（234 aa） Fragment：UNP residues 235-468
Chain L 127–178（52 aa） Fragment：UNP residues 127-178
Not recorded IK8 1-(3-AMINO-1,2-BENZISOXAZOL-5-YL)-N-(4-{2-[(DIMETHYLAMINO)METHYL]-1H-IMIDAZOL-1-YL}-2-FLUOROPHENYL)-3-(TRIFLUOROMETHYL) -1H-PYRAZOLE-5-CARBOXAMIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；277 K；200 mM Sodium Acetate, pH 5.5, 18% PEG6000, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 1.80 Å R-free 0.260
2BMG Crystal structure of factor Xa in complex with 50 Deposited 2005-03-14 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 126–178（53 aa） Fragment：LIGHT CHAIN, RESIDUES 126-178
Chain B 235–468（234 aa） Fragment：HEAVY CHAIN, RESIDUES 235-468
Not recorded CA CALCIUM ION × 1 I1H 3-[2-(2,4-DICHLOROPHENYL)ETHOXY]-4-METHOXY-N-[(1-PYRIDIN-4-YLPIPERIDIN-4-YL)METHYL]BENZAMIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.7；298 K；PEG600, MES, CACL2, PH 5.7, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 298.0K
Resolution 2.70 Å R-free 0.277
2BOH Crystal structure of factor Xa in complex with compound "1" Deposited 2005-04-11 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 126–234（109 aa） Fragment：LIGHT CHAIN, RESIDUES 126-234
Chain B 235–488（254 aa） Fragment：LIGHT CHAIN, RESIDUES 235-488
Not recorded CA CALCIUM ION × 1 IIA 1-{[5-(5-CHLORO-2-THIENYL)ISOXAZOL-3-YL]METHYL}-N-(1-ISOPROPYLPIPERIDIN-4-YL)-1H-INDOLE-2-CARBOXAMIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.7；298 K；PEG600, MES, CACL2, PH 5.7, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 298.0 K
Resolution 2.20 Å R-free 0.253
2BOK Factor Xa - cation Deposited 2005-04-12 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 235–475（241 aa） Fragment：CATALYTIC DOMAIN, RESIDUES 234-475
Chain L 126–180（55 aa） Fragment：EGF2 DOMAIN, RESIDUES 126-180
Mutation：YES 784 [AMINO (4-{(3AS,4R,8AS,8BR)-1,3-DIOXO-2- [3-(TRIMETHYLAMMONIO) PROPYL]DECAHYDROPYRROLO[3,4-A] PYRROLIZIN-4-YL}PHENYL) METHYLENE]AMMONIUM × 1 NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 5.5；pH 5.50
Resolution 1.64 Å R-free 0.237
2BQ6 Crystal structure of factor Xa in complex with 21 Deposited 2005-04-27 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 126–177（52 aa） Fragment：DES-GLA LIGHT CHAIN, RESIDUES 126-177
Chain B 220–368（149 aa） Fragment：HEAVY CHAIN, RESIDUES 220-468
Chain B 369–441（73 aa） Fragment：HEAVY CHAIN, RESIDUES 220-468
Chain B 442–468（27 aa） Fragment：HEAVY CHAIN, RESIDUES 220-468
Not recorded CA CALCIUM ION × 1 IIB 1-{[5-(5-CHLORO-2-THIENYL)ISOXAZOL-3-YL]METHYL}-3-CYANO-N-(1-ISOPROPYLPIPERIDIN-4-YL)-7-METHYL-1H-INDOLE-2-CARBOXAMIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.7；298 K；PEG600, MES, CACL2, PH 5.7, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 298.0K
Resolution 3.00 Å R-free 0.298
2BQ7 Crystal structure of factor Xa in complex with 43 Deposited 2005-04-27 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 126–177（52 aa） Fragment：DES-GLA LIGHT CHAIN, RESIDUES 126-177
Chain B 220–368（149 aa） Fragment：HEAVY CHAIN, RESIDUES 220-468
Chain B 369–441（73 aa） Fragment：HEAVY CHAIN, RESIDUES 220-468
Chain B 342–468（127 aa） Fragment：HEAVY CHAIN, RESIDUES 220-468
Not recorded IID N-(1-ISOPROPYLPIPERIDIN-4-YL)-1-(3-METHOXYBENZYL)-1H-INDOLE-2-CARBOXAMIDE × 1 CA CALCIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.7；298 K；PEG600, MES, CACL2, PH 5.7, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 298.0 K
Resolution 2.20 Å R-free 0.272
2BQW CRYSTAL STRUCTURE OF FACTOR XA IN COMPLEX WITH COMPOUND 45 Deposited 2005-04-28 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 126–177（52 aa） Fragment：DES-GLA LIGHT CHAIN, RESIDUES 126-177
Chain B 220–368（149 aa） Fragment：HEAVY CHAIN, RESIDUES 220-468
Chain B 369–441（73 aa） Fragment：HEAVY CHAIN, RESIDUES 220-468
Chain B 442–468（27 aa） Fragment：HEAVY CHAIN, RESIDUES 220-468
Not recorded CA CALCIUM ION × 1 IIE 1-{2-[(4-CHLOROPHENYL)AMINO]-2-OXOETHYL}-N-(1-ISOPROPYLPIPERIDIN-4-YL)-1H-INDOLE-2-CARBOXAMIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.7；298 K；PEG600, MES, CACL2, PH 5.7, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 298.0 K
Resolution 2.95 Å R-free 0.261
2CJI Crystal structure of a Human Factor Xa inhibitor complex Deposited 2006-04-03 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 235–368（134 aa） Fragment：ACTIVATED DESGLA, RESIDUES 235-488
Chain A 369–441（73 aa） Fragment：ACTIVATED DESGLA, RESIDUES 235-488
Chain A 442–488（47 aa） Fragment：ACTIVATED DESGLA, RESIDUES 235-488
Chain B 46–179（134 aa） Fragment：ACTIVATED DESGLA, RESIDUES 46-179
Not recorded CA CALCIUM ION × 1 GSK 6-CHLORO-N-{(3S)-1-[(1S)-1-METHYL-2-(4-MORPHOLINYL)-2-OXO ETHYL]-2-OXO-3-PYRROLIDINYL}-2-NAPHTHALENESULFONAMIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 5.75；18% PEG 6K, 100MM MES PH5.75, 10MM CACL2
Resolution 2.10 Å R-free 0.242
2D1J Factor Xa in complex with the inhibitor 2-[[4-[(5-chloroindol-2-yl)sulfonyl]piperazin-1-yl] carbonyl]thieno[3,2-b]pyridine n-oxide Deposited 2005-08-24 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 235–467（233 aa） Fragment：RESIDUES 16-243
Chain B 125–178（54 aa） Fragment：RESIDUES 85-138
Not recorded CA CALCIUM ION × 2 D01 2-({4-[(5-CHLORO-1H-INDOL-2-YL)SULFONYL]PIPERAZIN-1-YL}CARBONYL)THIENO[3,2-B]PYRIDINE 4-OXIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SEEDING；pH 5；293 K；pH 5.00, VAPOR DIFFUSION, SEEDING, temperature 293K
Resolution 2.20 Å R-free 0.232
2EI6 FACTOR XA IN COMPLEX WITH THE INHIBITOR (-)-cis-N1-[(5-Chloroindol-2-yl)carbonyl]-N2-[(5-methyl-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridin-2-yl)carbonyl]-1,2-cyclohexanediamine Deposited 2007-03-12 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 235–467（233 aa） Fragment：RESIDUES 16-243
Chain B 125–178（54 aa） Fragment：RESIDUES 85-138
Not recorded CA CALCIUM ION × 2 D92 N-((1R,2S)-2-(5-CHLORO-1H-INDOLE-2-CARBOXAMIDO)CYCLOHEXYL)-5-METHYL-4,5,6,7-TETRAHYDROTHIAZOLO[5,4-C]PYRIDINE-2-CARBOXAMIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions vapor diffusion, hanging drop, seeding；pH 5；293 K；pH 5.00, vapor diffusion, hanging drop, seeding, temperature 293K
Resolution 2.30 Å R-free 0.262
2EI7 FACTOR XA IN COMPLEX WITH THE INHIBITOR trans-N1-[(5-Chloroindol-2-yl)carbonyl]-N2-[(5-methyl-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridin-2-yl)carbonyl]-1,2-cyclohexanediamine Deposited 2007-03-12 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 235–467（233 aa） Fragment：RESIDUES 16-243
Chain B 125–178（54 aa） Fragment：RESIDUES 85-138
Not recorded CA CALCIUM ION × 2 D93 N-((1R,2R)-2-(5-CHLORO-1H-INDOLE-2-CARBOXAMIDO)CYCLOHEXYL)-5-METHYL-4,5,6,7-TETRAHYDROTHIAZOLO[5,4-C]PYRIDINE-2-CARBOXAMIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions vapor diffusion, hanging drop, seeding；pH 5；293 K；compound introduced with soaking method at pH 7, pH 5.00, vapor diffusion, hanging drop, seeding, temperature 293K
Resolution 2.30 Å R-free 0.273
2EI8 FACTOR XA IN COMPLEX WITH THE INHIBITOR (1S,2R,4S)-N1-[(5-chloroindol-2-yl)carbonyl]-4-(N,N-dimethylcarbamoyl)-N2-[(5-methyl-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridin-2-yl)carbonyl]-1,2-cyclohexanediamine Deposited 2007-03-12 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 235–467（233 aa） Fragment：RESIDUES 16-243
Chain B 125–178（54 aa） Fragment：RESIDUES 85-138
Not recorded CA CALCIUM ION × 2 DT8 N-((1R,2S,5S)-2-(5-CHLORO-1H-INDOLE-2-CARBOXAMIDO)-5-(DIMETHYLCARBAMOYL)CYCLOHEXYL)-5-METHYL-4,5,6,7-TETRAHYDROTHIAZOLO[5,4-C]PYRIDINE-2-CARBOXAMIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions vapor diffusion, hanging drop, seeding；pH 5；293 K；soaking method at pH 7, pH 5.00, vapor diffusion, hanging drop, seeding, temperature 293K
Resolution 2.10 Å R-free 0.250
2FZZ Factor Xa in complex with the inhibitor 1-(3-amino-1,2-benzisoxazol-5-yl)-6-(2'-(((3r)-3-hydroxy-1-pyrrolidinyl)methyl)-4-biphenylyl)-3-(trifluoromethyl)-1,4,5,6-tetrahydro-7h-pyrazolo[3,4-c]pyridin-7-one Deposited 2006-02-10 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 235–468（234 aa） Fragment：Coagulation Factor X, Heavy Chain
Chain L 127–178（52 aa） Fragment：Coagulation Factor X, Light Chain
Not recorded 5QC 1-(3-AMINO-1,2-BENZISOXAZOL-5-YL)-6-(2'-{[(3R)-3-HYDROXYPYRROLIDIN-1-YL]METHYL}BIPHENYL-4-YL)-3-(TRIFLUOROMETHYL)-1,4,5,6-TETRAHYDRO-7H-PYRAZOLO[3,4-C]PYRIDIN-7-ONE × 1 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 2.20 Å R-free 0.294
2G00 Factor Xa in complex with the inhibitor 3-(6-(2'-((dimethylamino)methyl)-4-biphenylyl)-7-oxo-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridin-1-yl)benzamide Deposited 2006-02-10 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 235–468（234 aa） Fragment：Coagulation Factor X, Heavy Chain
Chain L 127–178（52 aa） Fragment：Coagulation Factor X, Light Chain
Not recorded 4QC 3-[6-{2'-[(DIMETHYLAMINO)METHYL]BIPHENYL-4-YL}-7-OXO-3-(TRIFLUOROMETHYL)-4,5,6,7-TETRAHYDRO-1H-PYRAZOLO[3,4-C]PYRIDIN-1-YL]BENZAMIDE × 1 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 2.10 Å R-free 0.284
2GD4 Crystal Structure of the Antithrombin-S195A Factor Xa-Pentasaccharide Complex Deposited 2006-03-15 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Heteromer；Protein × 3 PDB declaration: trimeric
Chain H 235–475（241 aa） Fragment：Residues 235-475
Chain L 126–182（57 aa） Fragment：Residues 126-182
Mutation：S195A CA CALCIUM ION × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.4；294 K；20% PEG 3350, 200mM Calcium Acetate, pH 7.4, VAPOR DIFFUSION, HANGING DROP, temperature 294K
Resolution 3.30 Å R-free 0.298
2GD4 Crystal Structure of the Antithrombin-S195A Factor Xa-Pentasaccharide Complex Deposited 2006-03-15 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Other combination Heteromer；Protein × 3 PDB declaration: trimeric
Chain A 126–182（57 aa） Fragment：Residues 126-182
Chain B 235–475（241 aa） Fragment：Residues 235-475
Mutation：S195A CA CALCIUM ION × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.4；294 K；20% PEG 3350, 200mM Calcium Acetate, pH 7.4, VAPOR DIFFUSION, HANGING DROP, temperature 294K
Resolution 3.30 Å R-free 0.298
2H9E Crystal Structure of FXa/selectide/NAPC2 ternary complex Deposited 2006-06-09 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain H 235–467（233 aa） Fragment：catalytic domain
Chain L 86–234（149 aa） Fragment：EGF-like 1 domain
Not recorded PO4 PHOSPHATE ION × 6 ACT ACETATE ION × 3 NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.6；293 K；peg 8000, potassium dihydrogen phosphate, acetate ion, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.20 Å R-free 0.268
2J2U CRYSTAL STRUCTURE OF A HUMAN FACTOR XA INHIBITOR COMPLEX Deposited 2006-08-17 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 235–488（254 aa） Fragment：ACTIVATED DESGLA, RESIDUES 235-488
Chain B 46–179（134 aa） Fragment：ACTIVATED DESGLA, RESIDUES 46-179
Not recorded GSQ 5-CHLORO-N-{(3S)-1-[(1S)-1-METHYL-2-MORPHOLIN-4-YL-2-5-CHLORO-N-{(3S)-1-[(1S)-1-METHYL-2-MORPHOLIN-4-YL-2-SULFONAMIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 5.85；18% PEG6K, 50MM MES PH 5.85, 5MM CACL2, 50MM NACL
Resolution 1.90 Å R-free 0.236
2J34 CRYSTAL STRUCTURE OF A HUMAN FACTOR XA INHIBITOR COMPLEX Deposited 2006-08-18 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 235–368（134 aa） Fragment：ACTIVATED DESGLA, RESIDUES 235-488
Chain A 369–441（73 aa） Fragment：ACTIVATED DESGLA, RESIDUES 235-488
Chain A 442–488（47 aa） Fragment：ACTIVATED DESGLA, RESIDUES 235-488
Chain B 46–179（134 aa） Fragment：ACTIVATED DESGLA, RESIDUES 46-179
Not recorded GS6 6-CHLORO-N-{(3S)-1-[(1S)-1-METHYL-2-MORPHOLIN-4-YL-2-OXOETHYL]-2-OXOPYRROLIDIN-3-YL}-1-BENZOTHIOPHENE-2-SULFONAMIDE × 1 CA CALCIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 5.85；18% PEG6K, 50MM MES PH 5.85, 5MM CACL2, 50MM NACL
Resolution 2.01 Å R-free 0.220
2J38 CRYSTAL STRUCTURE OF A HUMAN FACTOR XA INHIBITOR COMPLEX Deposited 2006-08-18 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 235–368（134 aa） Fragment：ACTIVATED DESGLA, RESIDUES 235-488
Chain A 369–441（73 aa） Fragment：ACTIVATED DESGLA, RESIDUES 235-488
Chain A 442–488（47 aa） Fragment：ACTIVATED DESGLA, RESIDUES 235-488
Chain B 46–179（134 aa） Fragment：ACTIVATED DESGLA, RESIDUES 46-179
Not recorded GS5 5-CHLORO-N-{(3S)-1-[(1S)-1-METHYL-2-MORPHOLIN-4-YL-2-OXOETHYL]-2-OXOPYRROLIDIN-3-YL}-1-BENZOTHIOPHENE-2-SULFONAMIDE × 1 CA CALCIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 5.85；16% PEG6K, 50MM MES PH5.85, 5MM CACL2, 50MM NACL
Resolution 2.10 Å R-free 0.302
2J4I CRYSTAL STRUCTURE OF A HUMAN FACTOR XA INHIBITOR COMPLEX Deposited 2006-08-31 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 235–488（254 aa） Fragment：ACTIVATED DESGLA, RESIDUES 235-488
Chain B 46–179（134 aa） Fragment：ACTIVATED DESGLA, RESIDUES 46-179
Not recorded GSJ 1-PYRROLIDINEACETAMIDE, 3-[[(6-CHLORO-2-NAPHTHALENYL)SULFONYL]AMINO]-ALPHA-METHYL-N-(1-METHYLETHYL)-N-[2-[(METHYLSULFONYL)AMINO]ETHYL]-2-OXO-, (ALPHAS,3S)- × 1 CA CALCIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 5.85；18% PEG6K, 50MM MES PH 5.85, 5MM CACL2, 50MM NACL
Resolution 1.80 Å R-free 0.234
2J94 CRYSTAL STRUCTURE OF A HUMAN FACTOR XA INHIBITOR COMPLEX Deposited 2006-11-02 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 235–368（134 aa） Fragment：ACTIVATED DESGLA, RESIDUES 235-488
Chain A 369–441（73 aa） Fragment：ACTIVATED DESGLA, RESIDUES 235-488
Chain A 442–488（47 aa） Fragment：ACTIVATED DESGLA, RESIDUES 235-488
Chain B 46–179（134 aa） Fragment：ACTIVATED DESGLA, RESIDUES 46-179
Not recorded G15 5-(5-CHLORO-2-THIENYL)-N-{(3S)-1-[(1S)-1-METHYL-2-MORPHOLIN-4-YL-2-OXOETHYL]-2-OXOPYRROLIDIN-3-YL}-1H-1,2,4-TRIAZOLE-3-SULFONAMIDE × 1 CA CALCIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 6.75；18% PEG6K, 50MM MES PH 5.85, 5MM CACL2, 50MM NACL
Resolution 2.10 Å R-free 0.233
2J95 CRYSTAL STRUCTURE OF A HUMAN FACTOR XA INHIBITOR COMPLEX Deposited 2006-11-02 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 235–368（134 aa） Fragment：ACTIVATED DESGLA, RESIDUES 235-488
Chain A 369–441（73 aa） Fragment：ACTIVATED DESGLA, RESIDUES 235-488
Chain A 442–488（47 aa） Fragment：ACTIVATED DESGLA, RESIDUES 235-488
Chain B 46–179（134 aa） Fragment：ACTIVATED DESGLA, RESIDUES 46-179
Not recorded GSX 5'-CHLORO-N-{(3S)-1-[(1S)-1-METHYL-2-MORPHOLIN-4-YL-2-OXOETHYL]-2-OXOPYRROLIDIN-3-YL}-2,2'-BITHIOPHENE-5-SULFONAMIDE × 1 CA CALCIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 5.85；18% PEG 6K, 100MM MES PH5.75, 10MM CACL2, pH 5.85
Resolution 2.01 Å R-free 0.242
2JKH Factor Xa - cation inhibitor complex Deposited 2008-08-28 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 235–475（241 aa） Fragment：CATALYTIC, RESIDUES 235-475
Chain L 126–180（55 aa） Fragment：EGF2, RESIDUES 126-180
Mutation：YES BI7 3-[(3~{a}~{S},4~{R},8~{a}~{S},8~{b}~{R})-4-[5-(5-chloranylthiophen-2-yl)-1,2-oxazol-3-yl]-1,3-bis(oxidanylidene)-4,6,7,8,8~{a},8~{b}-hexahydro-3~{a}~{H}-pyrrolo[3,4-a]pyrrolizin-2-yl]propyl-trimethyl-azanium × 1 CA CALCIUM ION × 1 NA SODIUM ION × 1 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 1.25 Å R-free 0.221
2JKH Factor Xa - cation inhibitor complex Deposited 2008-08-28 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 235–475（241 aa） Fragment：CATALYTIC, RESIDUES 235-475
Mutation：YES BI7 3-[(3~{a}~{S},4~{R},8~{a}~{S},8~{b}~{R})-4-[5-(5-chloranylthiophen-2-yl)-1,2-oxazol-3-yl]-1,3-bis(oxidanylidene)-4,6,7,8,8~{a},8~{b}-hexahydro-3~{a}~{H}-pyrrolo[3,4-a]pyrrolizin-2-yl]propyl-trimethyl-azanium × 1 CA CALCIUM ION × 1 NA SODIUM ION × 1 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 1.25 Å R-free 0.221
2JKH Factor Xa - cation inhibitor complex Deposited 2008-08-28 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain L 126–180（55 aa） Fragment：EGF2, RESIDUES 126-180
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 1.25 Å R-free 0.221
2P16 Factor Xa in Complex with the Inhibitor APIXABAN (BMS-562247) AKA 1-(4-METHOXYPHENYL)-7-OXO-6-(4-(2-OXO-1-PIPERIDINYL)PHENYL)-4,5,6,7-TETRAHYDRO-1H-PYRAZOLO[3, 4-C]PYRIDINE-3-CARBOXAMIDE Deposited 2007-03-02 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 235–468（234 aa） Fragment：Coagulation Factor X, Heavy Chain
Chain L 127–178（52 aa） Fragment：Coagulation Factor X, Light Chain
Not recorded CA CALCIUM ION × 1 GG2 1-(4-METHOXYPHENYL)-7-OXO-6-[4-(2-OXOPIPERIDIN-1-YL)PHENYL]-4,5,6,7-TETRAHYDRO-1H-PYRAZOLO[3,4-C]PYRIDINE-3-CARBOXAMIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 5.5；277 K；200 mM Sodium Acetate, 18% PEG6000, vapor diffusion, hanging drop, temperature 277K, pH 5.5
Resolution 2.30 Å R-free 0.277
2P3F Crystal structure of the factor Xa/NAP5 complex Deposited 2007-03-08 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain H 235–469（235 aa） Fragment：Activated factor Xa heavy chain domain
Chain L 125–178（54 aa） Fragment：EGF-like 2 domain
Not recorded NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 7.5；298 K；Peg400, sodium citrate, pH 7.50, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 3.10 Å R-free 0.280
2P3T Crystal structure of human factor XA complexed with 3-Chloro-4-(2-methylamino-imidazol-1-ylmethyl)-thiophene-2-carboxylic acid [4-chloro-2-(5-chloro-pyridin-2-ylcarbamoyl)-6-methoxy-phenyl]-amide Deposited 2007-03-09 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 127–178（52 aa） Fragment：EGF-like 2 domain
Chain B 235–467（233 aa） Fragment：CATALYTIC DOMAIN
Not recorded CA CALCIUM ION × 1 CL CHLORIDE ION × 1 993 3-CHLORO-4-(2-METHYLAMINO-IMIDAZOL-1-YLMETHYL)-THIOPHENE-2-CARBOXYLIC ACID [4-CHLORO-2-(5-CHLORO-PYRIDIN-2-YLCARBAMOYL)-6-METHOXY-PHENYL]-AMIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；295 K；A three-fold excess of the inhibitor was added to the DES-GLA-FACTOR XA. the protein was then concentrated to 12-17 MG/ML. Crystals were grown using 2 UL of complex with 2 UL of reservoir containing 15-21% PEG1500 and 10 MM CACL2, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K
Resolution 1.92 Å R-free 0.219
2P3U Crystal structure of human factor XA complexed with 3-chloro-N-(4-chloro-2-{[(5-chloropyridin-2-yl)amino]carbonyl}-6-methoxyphenyl)-4-[(1-methyl-1H-imidazol-2-yl)methyl]thiophene-2-carboxamide {Pfizer 320663} Deposited 2007-03-09 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 127–178（52 aa） Fragment：EGF-like 2 domain
Chain B 235–467（233 aa） Fragment：CATALYTIC DOMAIN
Not recorded CA CALCIUM ION × 2 663 3-CHLORO-N-(4-CHLORO-2-{[(5-CHLOROPYRIDIN-2-YL)AMINO]CARBONYL}-6-METHOXYPHENYL)-4-[(1-METHYL-1H-IMIDAZOL-2-YL)METHYL]THIOPHENE-2-CARBOXAMIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions EVAPORATION；pH 7.5；295 K；A THREE-FOLD EXCESS OF 3-Chloro-4-(2-methylamino-imidazol-1-ylmethyl)-thiophene-2-carboxylic acid [4-chloro-2-(5-chloro-pyridin-2-ylcarbamoyl)-6-methoxy-phenyl]-amide WAS ADDED TO THE DES-GLA-FACTOR XA. THE PROTEIN WAS THEN CONCENTRATED TO 12-17 MG/ML. CRYSTALS WERE GROWN USING 2 UL OF COMPLEX WITH 2 UL OF RESERVOIR CONTAINING 15-21% PEG1500 AND 10 MM CACL2. 30-40 UL SITTING DROPS CONTAINING SATURATED INHIBITOR (5 MM) IN 21% PEG1500, 5 MM CACL2, 20 MM NACL, 25 MM TRIS PH 7.5 (CRYSTAL SOAKING SOLUTION) WERE EQUILIBRATED OVER A 1 ML RESERVOIR CONTAINING THE CRYSTAL SOAKING SOLUTION FOR 1 TO 2 DAYS. A SINGLE FACTOR XA CRYSTAL WAS TRANSFERRED USING A MOUNTED CRYOLOOP INTO ONE OF THESE SITTING DROPS AND ALLOWED TO SOAK FOR THREE OR MORE DAYS, EVAPORATION, temperature 295K
Resolution 1.62 Å R-free 0.210
2P93 Factor xa in complex with the inhibitor 5-chloro-N-(2-(4-(2-oxopyridin-1(2H)-yl)benzamido)ethyl)thiophene-2-carboxamide Deposited 2007-03-23 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 235–468（234 aa） Fragment：Residues 16-243
Chain L 127–178（52 aa） Fragment：Residues 87-138
Not recorded ME1 5-CHLORO-N-(2-(4-(2-OXOPYRIDIN-1(2H)-YL)BENZAMIDO)ETHYL)THIOPHENE-2-CARBOXAMIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；277 K；200 mM Sodium Acetate, pH 5.5, 18% PEG6000, vapor diffusion, hanging drop, temperature 277K
Resolution 1.90 Å R-free 0.307
2P94 Factor xa in complex with the inhibitor 3-chloro-N-((1R,2S)-2-(4-(2-oxopyridin-1(2H)-yl)benzamido)cyclohexyl)-1H-indole-6-carboxamide Deposited 2007-03-23 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 235–468（234 aa） Fragment：Residues 16-244
Chain L 127–178（52 aa） Fragment：Residues 87-138
Not recorded ME4 3-CHLORO-N-((1R,2S) -2-(4-(2-OXOPYRIDIN-1(2H)-YL)BENZAMIDO)CYCLOHEXYL)-1H-INDOLE-6-CARBOXAMIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；277 K；200 mM Sodium Acetate, pH 5.5, 18% PEG6000, vapor diffusion, hanging drop, temperature 277K
Resolution 1.80 Å R-free 0.330
2P95 Factor xa in complex with the inhibitor 5-chloro-N-((1R,2S)-2-(4-(2-oxopyridin-1(2H)-YL)benzamido) cyclopentyl)thiophene-2-carboxamide Deposited 2007-03-23 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 235–468（234 aa） Fragment：Residues 16-244
Chain L 127–178（52 aa） Fragment：Residues 87-138
Not recorded ME5 5-CHLORO-N-((1R,2S)-2-(4-(2-OXOPYRIDIN-1(2H)-YL)BENZAMIDO) CYCLOPENTYL)THIOPHENE-2-CARBOXAMIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；277 K；200 mM Sodium Acetate, pH 5.5, 18% PEG6000, vapor diffusion, hanging drop, temperature 277K
Resolution 2.20 Å R-free 0.271
2PHB An Orally Efficacious Factor Xa Inhibitor Deposited 2007-04-10 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 235–468（234 aa） Fragment：heavy chain
Chain B 128–178（51 aa） Fragment：light chain
Not recorded CA CALCIUM ION × 1 230 (2R,4R)-N~1~-(4-CHLOROPHENYL)-N~2~-[2-FLUORO-4-(2-OXOPYRIDIN-1(2H)-YL)PHENYL]-4-METHOXYPYRROLIDINE-1,2-DICARBOXAMIDE × 1 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 2.30 Å R-free 0.296
2PR3 Factor XA inhibitor Deposited 2007-05-03 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 235–468（234 aa） Fragment：HEAVY CHAIN
Chain B 128–178（51 aa） Fragment：LIGHT CHAIN
Not recorded CA CALCIUM ION × 2 237 (2R,4R)-N~1~-(4-CHLOROPHENYL)-N~2~-[3-FLUORO-2'-(METHYLSULFONYL)BIPHENYL-4-YL]-4-METHOXYPYRROLIDINE-1,2-DICARBOXAMIDE × 1 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 1.50 Å R-free 0.267
2Q1J The discovery of glycine and related amino acid-based factor xa inhibitors Deposited 2007-05-24 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 235–468（234 aa）
Chain B 128–178（51 aa） Fragment：Residues 128-178
Not recorded CA CALCIUM ION × 1 FXI 1-(butyl{[(4-chlorophenyl)amino]carbonyl}amino)-N-[3-fluoro-2'-(methylsulfonyl)biphenyl-4-yl]cyclopropanecarboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 5.9；25% PEG 600, 0.3 M NACL, 0.1 M MES, PH 5.9, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 294K, pH 5.90
Resolution 1.90 Å R-free 0.272
2RA0 X-ray Structure of FXa in complex with 7-fluoroindazole Deposited 2007-09-14 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 235–468（234 aa） Fragment：heavy chain, UNP residues 235-468
Chain L 128–178（51 aa） Fragment：light chain, UNP residues 128-178
Mutation：L88V JNJ 1-(3-amino-1,2-benzisoxazol-5-yl)-6-(4-{2-[(dimethylamino)methyl]-1H-imidazol-1-yl}-2-fluorophenyl)-7-fluoro-1H-indazole-3-carboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；295 K；20%Peg 3350, 10mM CaCl2, 0.1M Tris-maleate pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K
Resolution 2.30 Å R-free 0.314
2UWL Selective and Dual Action Orally Active Inhibitors of Thrombin and Factor Xa Deposited 2007-03-22 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 235–488（254 aa） Fragment：ACTIVATED DESGLA, RESIDUES 235-488
Chain B 46–179（134 aa） Fragment：ACTIVATED DESGLA, RESIDUES 46-179
Not recorded 895 2-(5-CHLORO-2-THIENYL)-N-{(3S)-1-[(1S)-1-METHYL-2-MORPHOLIN-4-YL-2-OXOETHYL]-2-OXOPYRROLIDIN-3-YL}ETHENESULFONAMIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 5.75；18% PEG6K, 50MM HEPES PH5.75, 10MM CACL2, 150MM NACL
Resolution 1.90 Å R-free 0.238
2UWO Selective and Dual Action Orally Active Inhibitors of Thrombin and Factor Xa Deposited 2007-03-22 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 235–488（254 aa） Fragment：ACTIVATED DESGLA, RESIDUES 235-488
Chain B 46–179（134 aa） Fragment：ACTIVATED DESGLA, RESIDUES 46-179
Not recorded 701 (2R)-2-(5-CHLORO-2-THIENYL)-N-{(3S)-1-[(1S)-1-METHYL-2-MORPHOLIN-4-YL-2-OXOETHYL]-2-OXOPYRROLIDIN-3-YL}PROPENE-1-SULFONAMIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 5.75；18% PEG6K, 50MM MES PH5.75, 10MM CACL2, 150MM NACL
Resolution 1.75 Å R-free 0.254
2UWP Factor Xa inhibitor complex Deposited 2007-03-22 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 235–488（254 aa） Fragment：ACTIVATED DESGLA, RESIDUES 235-488
Chain B 46–179（134 aa） Fragment：ACTIVATED DESGLA, RESIDUES 46-179
Not recorded 894 2-(5-CHLORO-2-THIENYL)-N-{(3S)-1-[(1S)-1-METHYL-2-MORPHOLIN-4-YL-2-OXOETHYL]-2-OXOPYRROLIDIN-3-YL}ETHANESULFONAMIDE × 1 CA CALCIUM ION × 1 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 5.75；18% PEG6K, 50MM MES PH 5.75, 10MM CACL2, 150MM NACL
Resolution 1.75 Å R-free 0.212
2VH0 Structure and property based design of factor Xa inhibitors:biaryl pyrrolidin-2-ones incorporating basic heterocyclic motifs Deposited 2007-11-16 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 235–488（254 aa） Fragment：ACTIVATED DESGLA, RESIDUES 235-488
Chain B 46–179（134 aa） Fragment：ACTIVATED DESGLA, RESIDUES 46-179
Not recorded CA CALCIUM ION × 1 MG MAGNESIUM ION × 1 GSI 2-(5-chlorothiophen-2-yl)-N-[(3S)-1-(4-{2-[(dimethylamino)methyl]-1H-imidazol-1-yl}-2-fluorophenyl)-2-oxopyrrolidin-3-yl]ethanesulfonamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.85；CRYSTALLISATION WAS CARRIED OUT USING THE HANGING DROP VAPOUR DIFFUSION METHOD IN 2UL DROPS CONTAINING A 1:1 MIXTURE OF PROTEIN AND WELL SOLUTION. WELL SOLUTION CONTAINED 16-20% PEG 6K, 50MM MES-NAOH (PH5.7-6.0), 5MM CACL2 AND 50MM NACL., pH 5.85
Resolution 1.70 Å R-free 0.216
2VH6 Structure and property based design of factor Xa inhibitors: pyrrolidin-2-ones with biaryl P4 motifs Deposited 2007-11-19 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 235–488（254 aa） Fragment：ACTIVATED DESGLA, RESIDUES 235-488
Chain B 46–179（134 aa） Fragment：ACTIVATED DESGLA, RESIDUES 46-179
Not recorded GSV 2-(5-chlorothiophen-2-yl)-N-{(3S)-1-[3-fluoro-2'-(methylsulfonyl)biphenyl-4-yl]-2-oxopyrrolidin-3-yl}ethanesulfonamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.85；CRYSTALLISATION WAS CARRIED OUT USING THE HANGING DROP VAPOUR DIFFUSION METHOD IN 2UL DROPS CONTAINING A 1:1 MIXTURE OF PROTEIN AND WELL SOLUTION. WELL SOLUTION CONTAINED 16-20% PEG 6K, 50MM MES-NAOH (PH5.7-6.0), 5MM CACL2 AND 50MM NACL, pH 5.85
Resolution 1.95 Å R-free 0.242
2VVC Aminopyrrolidine Factor Xa inhibitor Deposited 2008-06-05 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 235–475（241 aa） Fragment：PEPTIDASE S1 DOMAIN, RESIDUES 235-475
Chain L 126–180（55 aa） Fragment：EGF2, RESIDUES 126-180
Mutation：YES LZF 5-chloro-N-[(3S,4S)-1-(2-{[2-fluoro-4-(2-oxopyridin-1(2H)-yl)phenyl]amino}-2-oxoethyl)-4-methoxypyrrolidin-3-yl]thiophene-2-carboxamide × 1 CA CALCIUM ION × 1 NA SODIUM ION × 1 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 1.95 Å R-free 0.275
2VVC Aminopyrrolidine Factor Xa inhibitor Deposited 2008-06-05 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain B 235–475（241 aa） Fragment：PEPTIDASE S1 DOMAIN, RESIDUES 235-475
Chain K 126–180（55 aa） Fragment：EGF2, RESIDUES 126-180
Mutation：YES LZF 5-chloro-N-[(3S,4S)-1-(2-{[2-fluoro-4-(2-oxopyridin-1(2H)-yl)phenyl]amino}-2-oxoethyl)-4-methoxypyrrolidin-3-yl]thiophene-2-carboxamide × 1 NA SODIUM ION × 1 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 1.95 Å R-free 0.275
2VVC Aminopyrrolidine Factor Xa inhibitor Deposited 2008-06-05 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 235–475（241 aa） Fragment：PEPTIDASE S1 DOMAIN, RESIDUES 235-475
Mutation：YES LZF 5-chloro-N-[(3S,4S)-1-(2-{[2-fluoro-4-(2-oxopyridin-1(2H)-yl)phenyl]amino}-2-oxoethyl)-4-methoxypyrrolidin-3-yl]thiophene-2-carboxamide × 1 CA CALCIUM ION × 1 NA SODIUM ION × 1 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 1.95 Å R-free 0.275
2VVC Aminopyrrolidine Factor Xa inhibitor Deposited 2008-06-05 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain L 126–180（55 aa） Fragment：EGF2, RESIDUES 126-180
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 1.95 Å R-free 0.275
2VVC Aminopyrrolidine Factor Xa inhibitor Deposited 2008-06-05 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 5 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 235–475（241 aa） Fragment：PEPTIDASE S1 DOMAIN, RESIDUES 235-475
Mutation：YES LZF 5-chloro-N-[(3S,4S)-1-(2-{[2-fluoro-4-(2-oxopyridin-1(2H)-yl)phenyl]amino}-2-oxoethyl)-4-methoxypyrrolidin-3-yl]thiophene-2-carboxamide × 1 NA SODIUM ION × 1 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 1.95 Å R-free 0.275
2VVC Aminopyrrolidine Factor Xa inhibitor Deposited 2008-06-05 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 6 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain K 126–180（55 aa） Fragment：EGF2, RESIDUES 126-180
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 1.95 Å R-free 0.275
2VVU Aminopyrrolidine Factor Xa inhibitor Deposited 2008-06-11 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 235–475（241 aa） Fragment：CATALYTIC, RESIDUES 235-475
Chain L 126–180（55 aa） Fragment：EGF2, RESIDUES 126-180
Mutation：YES H22 5-chloro-N-[(3R)-1-(2-{[2-fluoro-4-(2-oxopyridin-1(2H)-yl)phenyl]amino}-2-oxoethyl)pyrrolidin-3-yl]thiophene-2-carboxamide × 1 CA CALCIUM ION × 1 NA SODIUM ION × 1 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 2.30 Å R-free 0.309
2VVU Aminopyrrolidine Factor Xa inhibitor Deposited 2008-06-11 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 235–475（241 aa） Fragment：CATALYTIC, RESIDUES 235-475
Mutation：YES H22 5-chloro-N-[(3R)-1-(2-{[2-fluoro-4-(2-oxopyridin-1(2H)-yl)phenyl]amino}-2-oxoethyl)pyrrolidin-3-yl]thiophene-2-carboxamide × 1 CA CALCIUM ION × 1 NA SODIUM ION × 1 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 2.30 Å R-free 0.309
2VVU Aminopyrrolidine Factor Xa inhibitor Deposited 2008-06-11 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain L 126–180（55 aa） Fragment：EGF2, RESIDUES 126-180
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 2.30 Å R-free 0.309
2VVV Aminopyrrolidine-related triazole Factor Xa inhibitor Deposited 2008-06-12 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 235–475（241 aa） Fragment：CATALYTIC, RESIDUES 235-475
Chain L 126–180（55 aa） Fragment：EGF2, RESIDUES 126-180
Mutation：YES H21 5-chloro-N-[1-(2-{[2-fluoro-4-(2-oxopyridin-1(2H)-yl)phenyl]amino}-2-oxoethyl)-1H-1,2,4-triazol-3-yl]thiophene-2-carboxamide × 1 CA CALCIUM ION × 1 NA SODIUM ION × 1 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 1.73 Å R-free 0.251
2VVV Aminopyrrolidine-related triazole Factor Xa inhibitor Deposited 2008-06-12 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 235–475（241 aa） Fragment：CATALYTIC, RESIDUES 235-475
Mutation：YES H21 5-chloro-N-[1-(2-{[2-fluoro-4-(2-oxopyridin-1(2H)-yl)phenyl]amino}-2-oxoethyl)-1H-1,2,4-triazol-3-yl]thiophene-2-carboxamide × 1 CA CALCIUM ION × 1 NA SODIUM ION × 1 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 1.73 Å R-free 0.251
2VVV Aminopyrrolidine-related triazole Factor Xa inhibitor Deposited 2008-06-12 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain L 126–180（55 aa） Fragment：EGF2, RESIDUES 126-180
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 1.73 Å R-free 0.251
2VWL Aminopyrrolidine Factor Xa inhibitor Deposited 2008-06-26 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 235–475（241 aa） Fragment：PEPTIDASE S1, RESIDUES 235-475
Chain L 126–180（55 aa） Fragment：EGF2, RESIDUES 126-180
Mutation：YES LZH 5-CHLORO-THIOPHENE-2-CARBOXYLIC ACID ((3R,5S)-1-{[2-FLUORO-4-(2-OXO-PYRIDIN-1-YL)-PHENYLCARBAMOYL]-METHYL}-5-HYDROXYMETHYL-PYRROLIDIN-3-YL)-AMIDE × 1 CL CHLORIDE ION × 1 CA CALCIUM ION × 1 NA SODIUM ION × 1 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 1.80 Å R-free 0.250
2VWL Aminopyrrolidine Factor Xa inhibitor Deposited 2008-06-26 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 235–475（241 aa） Fragment：PEPTIDASE S1, RESIDUES 235-475
Mutation：YES LZH 5-CHLORO-THIOPHENE-2-CARBOXYLIC ACID ((3R,5S)-1-{[2-FLUORO-4-(2-OXO-PYRIDIN-1-YL)-PHENYLCARBAMOYL]-METHYL}-5-HYDROXYMETHYL-PYRROLIDIN-3-YL)-AMIDE × 1 CL CHLORIDE ION × 1 CA CALCIUM ION × 1 NA SODIUM ION × 1 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 1.80 Å R-free 0.250
2VWL Aminopyrrolidine Factor Xa inhibitor Deposited 2008-06-26 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain L 126–180（55 aa） Fragment：EGF2, RESIDUES 126-180
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 1.80 Å R-free 0.250
2VWM Aminopyrrolidine Factor Xa inhibitor Deposited 2008-06-26 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 235–475（241 aa） Fragment：PEPTIDASE S1 DOMAIN, RESIDUES 235-475
Chain L 126–180（55 aa） Fragment：EGF2, RESIDUES 126-180
Mutation：YES LZI (4R)-4-{[(5-chlorothiophen-2-yl)carbonyl]amino}-N-(cyclopropylmethyl)-1-(2-{[2-fluoro-4-(2-oxopyridin-1(2H)-yl)phenyl]amino}-2-oxoethyl)-L-prolinamide × 1 NA SODIUM ION × 1 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 1.96 Å R-free 0.273
2VWM Aminopyrrolidine Factor Xa inhibitor Deposited 2008-06-26 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain B 235–475（241 aa） Fragment：PEPTIDASE S1 DOMAIN, RESIDUES 235-475
Chain K 126–180（55 aa） Fragment：EGF2, RESIDUES 126-180
Mutation：YES LZI (4R)-4-{[(5-chlorothiophen-2-yl)carbonyl]amino}-N-(cyclopropylmethyl)-1-(2-{[2-fluoro-4-(2-oxopyridin-1(2H)-yl)phenyl]amino}-2-oxoethyl)-L-prolinamide × 1 NA SODIUM ION × 1 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 1.96 Å R-free 0.273
2VWM Aminopyrrolidine Factor Xa inhibitor Deposited 2008-06-26 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 235–475（241 aa） Fragment：PEPTIDASE S1 DOMAIN, RESIDUES 235-475
Mutation：YES LZI (4R)-4-{[(5-chlorothiophen-2-yl)carbonyl]amino}-N-(cyclopropylmethyl)-1-(2-{[2-fluoro-4-(2-oxopyridin-1(2H)-yl)phenyl]amino}-2-oxoethyl)-L-prolinamide × 1 NA SODIUM ION × 1 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 1.96 Å R-free 0.273
2VWM Aminopyrrolidine Factor Xa inhibitor Deposited 2008-06-26 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain L 126–180（55 aa） Fragment：EGF2, RESIDUES 126-180
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 1.96 Å R-free 0.273
2VWM Aminopyrrolidine Factor Xa inhibitor Deposited 2008-06-26 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 5 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 235–475（241 aa） Fragment：PEPTIDASE S1 DOMAIN, RESIDUES 235-475
Mutation：YES LZI (4R)-4-{[(5-chlorothiophen-2-yl)carbonyl]amino}-N-(cyclopropylmethyl)-1-(2-{[2-fluoro-4-(2-oxopyridin-1(2H)-yl)phenyl]amino}-2-oxoethyl)-L-prolinamide × 1 NA SODIUM ION × 1 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 1.96 Å R-free 0.273
2VWM Aminopyrrolidine Factor Xa inhibitor Deposited 2008-06-26 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 6 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain K 126–180（55 aa） Fragment：EGF2, RESIDUES 126-180
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 1.96 Å R-free 0.273
2VWN Aminopyrrolidine Factor Xa inhibitor Deposited 2008-06-26 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 235–475（241 aa） Fragment：PEPTIDASE S1 DOMAIN, RESIDUES 235-475
Chain L 126–180（55 aa） Fragment：EGF2, RESIDUES 126-180
Mutation：YES H25 5-Chloro-thiophene-2-carboxylic acid ((3S,4S)-1-{[2-fluoro-4-(2-oxo-2H-pyridin-1-yl)-phenylcarbamoyl]-methyl}-4-hydroxy-pyrrolidin-3-yl)-amide × 1 CA CALCIUM ION × 1 NA SODIUM ION × 2 CL CHLORIDE ION × 2 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 1.61 Å R-free 0.228
2VWN Aminopyrrolidine Factor Xa inhibitor Deposited 2008-06-26 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 235–475（241 aa） Fragment：PEPTIDASE S1 DOMAIN, RESIDUES 235-475
Mutation：YES H25 5-Chloro-thiophene-2-carboxylic acid ((3S,4S)-1-{[2-fluoro-4-(2-oxo-2H-pyridin-1-yl)-phenylcarbamoyl]-methyl}-4-hydroxy-pyrrolidin-3-yl)-amide × 1 CA CALCIUM ION × 1 NA SODIUM ION × 2 CL CHLORIDE ION × 2 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 1.61 Å R-free 0.228
2VWN Aminopyrrolidine Factor Xa inhibitor Deposited 2008-06-26 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain L 126–180（55 aa） Fragment：EGF2, RESIDUES 126-180
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 1.61 Å R-free 0.228
2VWO Aminopyrrolidine Factor Xa inhibitor Deposited 2008-06-26 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 235–475（241 aa） Fragment：PEPTIDASE S1 DOMAIN, RESIDUES 235-475
Chain L 126–180（55 aa） Fragment：EGF2, RESIDUES 126-180
Mutation：YES LZG 5-CHLORO-THIOPHENE-2-CARBOXYLIC ACID ((3S,4S)-4-FLUORO- 1-{[2-FLUORO-4-(2-OXO-2H-PYRIDIN-1-YL)-PHENYLCARBAMOYL]-METHYL}-PYRROLIDIN-3-YL)-AMIDE × 1 CA CALCIUM ION × 1 NA SODIUM ION × 3 CL CHLORIDE ION × 2 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 1.60 Å R-free 0.228
2VWO Aminopyrrolidine Factor Xa inhibitor Deposited 2008-06-26 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 235–475（241 aa） Fragment：PEPTIDASE S1 DOMAIN, RESIDUES 235-475
Mutation：YES LZG 5-CHLORO-THIOPHENE-2-CARBOXYLIC ACID ((3S,4S)-4-FLUORO- 1-{[2-FLUORO-4-(2-OXO-2H-PYRIDIN-1-YL)-PHENYLCARBAMOYL]-METHYL}-PYRROLIDIN-3-YL)-AMIDE × 1 CA CALCIUM ION × 1 NA SODIUM ION × 3 CL CHLORIDE ION × 2 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 1.60 Å R-free 0.228
2VWO Aminopyrrolidine Factor Xa inhibitor Deposited 2008-06-26 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain L 126–180（55 aa） Fragment：EGF2, RESIDUES 126-180
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 1.60 Å R-free 0.228
2W26 Factor Xa in complex with BAY59-7939 Deposited 2008-10-24 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 235–468（234 aa） Fragment：RESIDUES 235-468
Chain B 129–177（49 aa） Fragment：RESIDUES 129-177
Not recorded RIV 5-chloro-N-({(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl}methyl)thiophene-2-carboxamide × 1 CA CALCIUM ION × 2 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 2.08 Å R-free 0.259
2W3I Crystal Structure of FXa in complex with 4,4-disubstituted pyrrolidine-1,2-dicarboxamide inhibitor 2 Deposited 2008-11-12 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 235–468（234 aa） Fragment：HEAVY CHAIN, RESIDUES 235-468
Chain B 128–178（51 aa） Fragment：LIGHT CHAIN, RESIDUES 128-178
Not recorded CA CALCIUM ION × 1 L1C (2R,4S)-N^1^-(4-chlorophenyl)-4-(2,4-difluorophenyl)-4-hydroxy-N^2^-(2-oxo-2H-1,3'-bipyridin-6'-yl)pyrrolidine-1,2-dicarboxamide × 1 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 1.90 Å R-free 0.261
2W3K Crystal Structure of FXa in complex with 4,4-disubstituted pyrrolidine-1,2-dicarboxamide inhibitor 1 Deposited 2008-11-12 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 235–468（234 aa） Fragment：HEAVY CHAIN, RESIDUES 235-468
Chain B 128–178（51 aa） Fragment：LIGHT CHAIN, RESIDUES 128-178
Not recorded L1D (2R,4S)-N^1^-(4-chlorophenyl)-N^2^-[2-fluoro-4-(2-oxopyridin-1(2H)-yl)phenyl]-4-hydroxy-4-phenylpyrrolidine-1,2-dicarboxamide × 1 CA CALCIUM ION × 1 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 2.05 Å R-free 0.255
2WYG Structure and property based design of factor Xa inhibitors: pyrrolidin-2-ones with monoaryl P4 motifs Deposited 2009-11-16 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 235–488（254 aa） Fragment：ACTIVATED DESGLA, RESIDUES 235-488
Chain B 46–179（134 aa） Fragment：ACTIVATED DESGLA, RESIDUES 46-179
Not recorded 461 (E)-2-(5-CHLOROTHIOPHEN-2-YL)-N-[(3S)-1-{4-[(1R)-1-(DIMETHYLAMINO)ETHYL]-2-FLUOROPHENYL}-2-OXOPYRROLIDIN-3-YL]ETHENESULFONAMIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 5.75；CRYSTALLISATION WAS CARRIED OUT USING VAPOUR DIFFUSION IN 2UL DROPS CONTAINING A 1:1 MIXTURE OF PROTEIN AND WELL SOLUTION. WELL SOLUTION CONTAINED 16-20% PEG6K, 50MM MES-NAOH (PH5.5-6), 5MM CACL2 AND 50MM NACL., pH 5.75
Resolution 1.88 Å R-free 0.234
2WYJ Structure and property based design of factor Xa inhibitors: pyrrolidin-2-ones with monoaryl P4 motifs Deposited 2009-11-16 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 235–488（254 aa） Fragment：ACTIVATED DESGLA, RESIDUES 235-488
Chain B 46–179（134 aa） Fragment：ACTIVATED DESGLA, RESIDUES 46-179
Not recorded 898 (E)-2-(5-CHLOROTHIOPHEN-2-YL)-N-[(3S)-1-{4-[(1S)-1-(DIMETHYLAMINO)ETHYL]-2-FLUOROPHENYL}-2-OXOPYRROLIDIN-3-YL]ETHENESULFONAMIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.75；CRYSTALLISATION WAS CARRIED OUT USING HANG DROP VAPOUR DIFFUSION METHODS IN 2UL DROPS CONTAINING 1:1 RATIO PROTEIN AND WELL SOLUTION. WELL SOLUTION CONTAINED 16-20% PEG6K, 50MM MES-NAOH (PH5.5-6), 5MM CACL2 AND 50MM NACL, pH 5.75
Resolution 2.38 Å R-free 0.255
2XBV Factor Xa in complex with a pyrrolidine-3,4-dicarboxylic acid inhibitor Deposited 2010-04-15 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 235–475（241 aa） Fragment：HEAVY CHAIN, RESIDUES 235-475
Chain L 126–180（55 aa） Fragment：LIGHTCHAIN, RESIDUES 126-180
Mutation：YES XBV (3R,4R)-1-(2,2-DIFLUORO-ETHYL)-PYRROLIDINE-3,4-DICARBOXYLIC ACID 3-[(5-CHLORO-PYRIDIN-2-YL)-AMIDE]-4-{[2-FLUORO-4-(2-OXO-2H-PYRIDIN-1-YL)-PHENYL]-AMIDE} × 1 CA CALCIUM ION × 1 NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 6.5；PH 6.5
Resolution 1.66 Å R-free 0.224
2XBW Factor Xa in complex with a pyrrolidine-3,4-dicarboxylic acid inhibitor Deposited 2010-04-15 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 235–475（241 aa） Fragment：HEAVY CHAIN, RESIDUES 235-475
Chain L 126–180（55 aa） Fragment：LIGHT CHAIN, RESIDUES 126-180
Not recorded 455 (3R,4R)-1-SULFAMOYL-PYRROLIDINE-3,4-DICARBOXYLIC ACID 3-[(4-CHLORO-PHENYL)-AMIDE] 4-{[2-FLUORO-4-(2-OXO-2H-PYRIDIN-1-YL)-PHENYL]-AMIDE} × 1 CA CALCIUM ION × 1 NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 6.5；PH 6.5
Resolution 1.72 Å R-free 0.218
2XBX Factor Xa in complex with a pyrrolidine-3,4-dicarboxylic acid inhibitor Deposited 2010-04-15 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 235–475（241 aa） Fragment：HEAVY CHAIN, RESIDUES 235-475
Chain L 126–180（55 aa） Fragment：LIGHTCHAIN, RESIDUES 126-180
Not recorded RR8 (3R,4R)-1-METHANESULFONYL-PYRROLIDINE-3,4-DICARBOXYLIC ACID 3-[(4-CHLORO-PHENYL)-AMIDE] 4-{[2-FLUORO-4-(2-OXO-2H-PYRIDIN-1-YL)-PHENYL]-AMIDE} × 1 CA CALCIUM ION × 1 NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 6.5；PH 6.5
Resolution 1.85 Å R-free 0.235
2XBY Factor Xa in complex with a pyrrolidine-3,4-dicarboxylic acid inhibitor Deposited 2010-04-15 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 235–475（241 aa） Fragment：HEAVY CHAIN, RESIDUES 235-475
Chain L 126–180（55 aa） Fragment：LIGHT CHAIN, RESIDUES 126-180
Not recorded 63C (3R,4R)-1-METHYLCARBAMOYLMETHYL-PYRROLIDINE-3,4-DICARBOXYLIC ACID 3-[(4-CHLORO-PHENYL)-AMIDE] 4-{[2-FLUORO-4-(2-OXO-2H-PYRIDIN-1-YL)-PHENYL]-AMIDE} × 1 CA CALCIUM ION × 1 NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 6.5；PH 6.5
Resolution 2.02 Å R-free 0.246
2XC0 Factor Xa in complex with a pyrrolidine-3,4-dicarboxylic acid inhibitor Deposited 2010-04-15 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 235–475（241 aa） Fragment：HEAVY CHAIN, RESIDUES 235-475
Chain L 126–180（55 aa） Fragment：LIGHTCHAIN, RESIDUES 126-180
Not recorded 8NC (3R,4R)-1-METHANESULFONYL-PYRROLIDINE-3,4--DICARBOXYLIC ACID 3-[(3-FLUORO-4-METHOXY-PHENYL)-AMIDE] 4-{[2-FLUORO-4-(2-OXO-2H-PYRIDIN-1-YL)-PHENYL]-AMIDE} × 1 CA CALCIUM ION × 1 NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 6.5；PH 6.5
Resolution 2.05 Å R-free 0.240
2XC4 Factor Xa in complex with a pyrrolidine-3,4-dicarboxylic acid inhibitor Deposited 2010-04-16 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 235–475（241 aa） Fragment：HEAVY CHAIN, RESIDUES 235-475
Chain L 126–180（55 aa） Fragment：LIGHT CHAIN, RESIDUES 126-180
Not recorded CA CALCIUM ION × 1 NA SODIUM ION × 1 IVK (3R,4R)-N-(4-CHLOROPHENYL)-N'-[2-FLUORO-4-(2-OXOPYRIDIN-1(2H)-YL)PHENYL]-1-(2,2,2-TRIFLUOROETHYL)PYRROLIDINE-3,4-DICARBOXAMIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 6.5；PH 6.5
Resolution 1.67 Å R-free 0.244
2XC5 Factor Xa in complex with a pyrrolidine-3,4-dicarboxylic acid inhibitor Deposited 2010-04-16 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 235–475（241 aa） Fragment：HEAVY CHAIN, RESIDUES 235-475
Chain L 126–180（55 aa） Fragment：LIGHTCHAIN, RESIDUES 126-180
Not recorded OYJ (3R,4R)-1-METHANESULFONYL-PYRROLIDINE-3,4-DICARBOXYLIC ACID 3-[(4-CHLORO-3-FLUORO-PHENYL)-AMIDE] 4-{[2-FLUORO-4-(2-OXO-2H-PYRIDIN-1-YL)-PHENYL]-AMIDE} × 1 CA CALCIUM ION × 1 NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 6.5；PH 6.5
Resolution 1.70 Å R-free 0.232
2Y5F FACTOR XA - CATION INHIBITOR COMPLEX Deposited 2011-01-13 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 235–468（234 aa） Fragment：RESIDUES 235-468
Chain L 127–180（54 aa） Fragment：RESIDUES 127-180
Mutation：YES XWG (3AS,4R,5S,8AS,8BR)-4-[5-(5-CHLOROTHIOPHEN-2-YL)-1,2-OXAZOL-3-YL]-2-[3-[1-(2-HYDROXYETHYL)PYRROLIDIN-1-IUM-1-YL]PROPYL]-4,6,7,8,8A,8B-HEXAHYDRO-3AH-PYRROLO[3,4-A]PYRROLIZINE-1,3-DIONE × 1 NA SODIUM ION × 2 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 1.29 Å R-free 0.175
2Y5G FACTOR XA - CATION INHIBITOR COMPLEX Deposited 2011-01-13 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 235–468（234 aa） Fragment：RESIDUES 235-468
Chain L 127–180（54 aa） Fragment：RESIDUES 127-180
Mutation：YES FJD 3-[(3AS,4R,5S,8AS,8BR)-4-[5-(5-CHLOROTHIOPHEN-2-YL)-1,3-OXAZOL-2-YL]-1,3-DIOXO-4,6,7,8,8A,8B-HEXAHYDRO-3AH-PYRROLO[3,4-A]PYRROLIZIN-2-YL]PROPYL-TRIMETHYL-AZANIUM × 1 NA SODIUM ION × 2 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 1.29 Å R-free 0.186
2Y5H FACTOR XA - CATION INHIBITOR COMPLEX Deposited 2011-01-13 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 235–468（234 aa） Fragment：RESIDUES 235-468
Chain L 127–180（54 aa） Fragment：RESIDUES 127-180
Mutation：YES Y5H 3-[(3AS,4R,5S,8AS,8BR)-4-[2-(5-CHLOROTHIOPHEN-2-YL)-1,3-OXAZOL-4-YL]-1,3-DIOXO-4,6,7,8,8A,8B-HEXAHYDRO-3AH-PYRROLO[3,4-A]PYRROLIZIN-2-YL]PROPYL-TRIMETHYL-AZANIUM × 1 NA SODIUM ION × 2 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 1.33 Å R-free 0.190
2Y7X The discovery of potent and long-acting oral factor Xa inhibitors with tetrahydroisoquinoline and benzazepine P4 motifs Deposited 2011-02-02 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 235–488（254 aa）
Chain B 46–179（134 aa） Fragment：ACTIVATED DESGLA, RESIDUES 46-179
Not recorded MZA 6-CHLORO-N-[(3S)-1-(5-FLUORO-1,2,3,4-TETRAHYDROISOQUINOLIN-6-YL)-2-OXO-PYRROLIDIN-3-YL]NAPHTHALENE-2-SULFONAMIDE × 1 CA CALCIUM ION × 1 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 5.75；16-20% PEG 6K, 50 MM MES PH 5.5-6, 5 MM CACL2, 50 MM NACL WITH SEEDING.
Resolution 1.90 Å R-free 0.230
2Y7Z Structure and property based design of factor Xa inhibitors: pyrrolidin-2-ones with aminoindane and phenylpyrrolidine P4 motifs Deposited 2011-02-02 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 235–488（254 aa）
Chain B 46–179（134 aa） Fragment：ACTIVATED DESGLA, RESIDUES 46-179
Not recorded C0Z 6-CHLORO-N-[(3S)-1-[(1S)-1-DIMETHYLAMINO-2,3-DIHYDRO-1H-INDEN-5-YL]-2-OXO-PYRROLIDIN-3-YL]NAPHTHALENE-2-SULFONAMIDE × 1 CA CALCIUM ION × 1 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 5.75；CRYSTALLISATION WAS CARRIED OUT USING VAPOUR DIFFUSION IN 2UL DROPS CONTAINING A 1:1 MIXTURE OF PROTEIN AND WELL SOLUTION. WELL SOLUTION CONTAINED 16-20% PEG6K, 50MM MES-NAOH (PH 5.5-6), 5MM CACL2 AND 50MM NACL.
Resolution 1.84 Å R-free 0.246
2Y80 Structure and property based design of factor Xa inhibitors: pyrrolidin-2-ones with aminoindane and phenylpyrrolidine P4 motifs Deposited 2011-02-02 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 235–488（254 aa）
Chain B 46–179（134 aa） Fragment：ACTIVATED DESGLA, RESIDUES 46-179
Not recorded 439 6-CHLORO-N-{(3S)-1-[(1S)-1-(DIMETHYLAMINO)-2,3-DIHYDRO-1H-INDEN-5-YL]-2-OXO-3-PYRROLIDINYL}-2-NAPHTHALENESULFONAMIDE × 1 CA CALCIUM ION × 1 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 5.75；CRYSTALLISATION WAS CARRIED OUT USING VAPOUR DIFFUSION IN 2UL DROPS CONTAINING A 1:1 MIXTURE OF PROTEIN AND WELL SOLUTION. WELL SOLUTION CONTAINED 16-20% PEG 6K, 50 MM MES-NAOH (PH 5.5-6), 5 MM CACL2 AND 50 MM NACL.
Resolution 1.90 Å R-free 0.241
2Y81 Structure and property based design of factor Xa inhibitors: pyrrolidin-2-ones with aminoindane and phenylpyrrolidine P4 motifs Deposited 2011-02-02 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 235–488（254 aa）
Chain B 46–179（134 aa） Fragment：ACTIVATED DESGLA, RESIDUES 46-179
Not recorded 931 6-CHLORO-N-((3S)-2-OXO-1-{4-[(2R)-2--PYRROLIDINYL] PHENYL}-3-PYRROLIDINYL)-2-NAPHTHALENESULFONAMIDE × 1 CA CALCIUM ION × 1 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 5.75；CRYSTALLISATION WAS CARRIED OUT USING VAPOUR DIFFUSION IN 2UL DROPS CONTAINING A 1:1 MIXTURE OF PROTEIN AND WELL SOLUTION. WELL SOLUTION CONTAINED 16-20% PEG 6K, 50 MM MES-NAOH (PH 5.5-6), 5 MM CACL2 AND 50 MM NACL.
Resolution 1.70 Å R-free 0.225
2Y82 Structure and property based design of factor Xa inhibitors: pyrrolidin-2-ones with aminoindane and phenylpyrrolidine P4 motifs Deposited 2011-02-02 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 235–488（254 aa）
Chain B 46–179（134 aa） Fragment：ACTIVATED DESGLA, RESIDUES 46-179
Not recorded 930 6-CHLORO-N-((3S)-2-OXO-1-{4-[(2S)-2-PYRROLIDINYL]PHENYL}-3-PYRROLIDINYL)-2-NAPHTHALENESULFONAMIDE × 1 CA CALCIUM ION × 1 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 5.75；CRYSTALLISATION WAS CARRIED OUT USING VAPOUR DIFFUSION IN 2UL DROPS CONTAINING A 1:1 MIXTURE OF PROTEIN AND WELL SOLUTION. WELL SOLUTION CONTAINED 16-20% PEG 6K, 50 MM MES-NAOH (PH 5.5-6), 5 MM CACL2 AND 50 MM NACL.
Resolution 2.20 Å R-free 0.233
3CEN Factor XA in complex with the inhibitor N-(2-(((5-chloro-2-pyridinyl) amino)sulfonyl)phenyl)-4-(2-oxo-1(2H)-pyridinyl)benzamide Deposited 2008-02-29 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 235–468（234 aa） Fragment：Activated factor Xa heavy chain, UNP residues 235-468
Chain L 127–178（52 aa） Fragment：UNP residues 127-178
Not recorded FXA N-(2-(((5-CHLORO-2-PYRIDINYL)AMINO)SULFONYL)PHENYL)-4-(2-OXO-1(2H)-PYRIDINYL)BENZAMIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；277 K；200 mM Sodium Acetate, pH 5.5, 18% PEG6000, vapor diffusion, hanging drop, temperature 277K
Resolution 1.60 Å R-free 0.294
3CS7 FACTOR XA IN COMPLEX WITH THE INHIBITOR 1-(4-methoxyphenyl)-6-(4-(1-(pyrrolidin-1-ylmethyl)cyclopropyl)phenyl)-3-(trifluoromethyl)-5,6-dihydro-1H-pyrazolo[3,4-c]pyridin-7(4H)-one Deposited 2008-04-09 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 235–468（234 aa） Fragment：Coagulation Factor X, Heavy Chain
Chain L 127–178（52 aa） Fragment：Coagulation Factor X, Light Chain
Not recorded CA CALCIUM ION × 1 LG0 1-(4-methoxyphenyl)-6-(4-(1-(pyrrolidin-1-ylmethyl)cyclopropyl)phenyl)-3-(trifluoromethyl)-5,6-dihydro-1H-pyrazolo[3,4-c]pyridin-7(4H)-one × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 5.5；277 K；200 mM Sodium Acetate, pH 5.5, 18% PEG6000, vapor diffusion, hanging drop, temperature 277K, pH 5.50
Resolution 2.20 Å R-free 0.274
3ENS Crystal structure of human FXA in complex with methyl (2Z)-3-[(3-chloro-1H-indol-7-yl)amino]-2-cyano-3-{[(3S)-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-3-yl]amino}acrylate Deposited 2008-09-25 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 85–178（94 aa） Fragment：sequence database residues 93-178
Chain B 235–472（238 aa） Fragment：sequence database residues 235-472
Not recorded GOL GLYCEROL × 4 ENS methyl (2Z)-3-[(3-chloro-1H-indol-7-yl)amino]-2-cyano-3-{[(3S)-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-3-yl]amino}acrylate × 1 CA CALCIUM ION × 1 NA SODIUM ION × 1 MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 1 ACT ACETATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 6.5；298 K；15-22% W/V PEG MME 5000, 0.01 M CALCIUM ACETATE, 0.35 M SODIUM ACETATE, 0.1 M LITHIUM SULFATE, 0.1 M MES, pH 6.500000, VAPOR DIFFUSION HANGING DROP, temperature 298K, VAPOR DIFFUSION, HANGING DROP
Resolution 2.30 Å R-free 0.286
3ENS Crystal structure of human FXA in complex with methyl (2Z)-3-[(3-chloro-1H-indol-7-yl)amino]-2-cyano-3-{[(3S)-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-3-yl]amino}acrylate Deposited 2008-09-25 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain C 85–178（94 aa） Fragment：sequence database residues 93-178
Chain D 235–472（238 aa） Fragment：sequence database residues 235-472
Not recorded GOL GLYCEROL × 3 ENS methyl (2Z)-3-[(3-chloro-1H-indol-7-yl)amino]-2-cyano-3-{[(3S)-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-3-yl]amino}acrylate × 1 CA CALCIUM ION × 1 NA SODIUM ION × 1 MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 1 ACT ACETATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 6.5；298 K；15-22% W/V PEG MME 5000, 0.01 M CALCIUM ACETATE, 0.35 M SODIUM ACETATE, 0.1 M LITHIUM SULFATE, 0.1 M MES, pH 6.500000, VAPOR DIFFUSION HANGING DROP, temperature 298K, VAPOR DIFFUSION, HANGING DROP
Resolution 2.30 Å R-free 0.286
3FFG Factor XA in complex with the inhibitor (R)-6-(2'-((3- HYDROXYPYRROLIDIN-1-YL)METHYL)BIPHENYL-4-YL)-1-(3-(5-OXO-4,5-DIHYDRO-1H-1,2,4-TRIAZOL-3-YL)PHENYL)-3-(TRIFLUOROMETHYL)-5,6-DIHYDRO-1H-PYRAZOLO[3,4-C]PYRIDIN- 7(4H)-ONE Deposited 2008-12-03 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 235–468（234 aa） Fragment：sequence database residues 235-468
Chain L 127–178（52 aa） Fragment：sequence database residues 127-178
Not recorded FFG (R)-6-(2'-((3-hydroxypyrrolidin-1-yl)methyl)biphenyl-4-yl)-1-(3-(5-oxo-4,5-dihydro-1h-1,2,4-triazol-3-yl)phenyl)-3-(trifluoromethyl)-5,6-dihydro-1h-pyrazolo[3,4-c]pyridin-7(4h)-one × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；277 K；200 mM Sodium Acetate, pH 5.5, 18% PEG6000, vapor diffusion, hanging drop, temperature 277K
Resolution 1.54 Å R-free 0.240
3HPT Crystal structure of human FxA in complex with (S)-2-cyano-1-(2-methylbenzofuran-5-yl)-3-(2-oxo-1-(2-oxo-2-(pyrrolidin-1-yl)ethyl)azepan-3-yl)guanidine Deposited 2009-06-04 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 85–178（94 aa） Fragment：Factor X light chain: UNP residues 85-178
Chain B 235–472（238 aa） Fragment：Activated factor Xa heavy chain: UNP residues 235-472
Not recorded GOL GLYCEROL × 3 YET 1-cyano-2-(2-methyl-1-benzofuran-5-yl)-3-[(3S)-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-3-yl]guanidine × 1 CA CALCIUM ION × 1 NA SODIUM ION × 1 MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 1 ACT ACETATE ION × 4 DMS DIMETHYL SULFOXIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；298 K；15-22% w/v PEG MME 5000, 0.01 M Calcium acetate, 0.35 M Sodium acetate, 0.1 M Lithium sulfate, 0.1 M MES, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 2.19 Å R-free 0.239
3HPT Crystal structure of human FxA in complex with (S)-2-cyano-1-(2-methylbenzofuran-5-yl)-3-(2-oxo-1-(2-oxo-2-(pyrrolidin-1-yl)ethyl)azepan-3-yl)guanidine Deposited 2009-06-04 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain C 85–178（94 aa） Fragment：Factor X light chain: UNP residues 85-178
Chain D 235–472（238 aa） Fragment：Activated factor Xa heavy chain: UNP residues 235-472
Not recorded GOL GLYCEROL × 2 YET 1-cyano-2-(2-methyl-1-benzofuran-5-yl)-3-[(3S)-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-3-yl]guanidine × 1 CA CALCIUM ION × 1 NA SODIUM ION × 1 MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 1 ACT ACETATE ION × 4 DMS DIMETHYL SULFOXIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；298 K；15-22% w/v PEG MME 5000, 0.01 M Calcium acetate, 0.35 M Sodium acetate, 0.1 M Lithium sulfate, 0.1 M MES, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 2.19 Å R-free 0.239
3IIT Factor XA in complex with a cis-1,2-diaminocyclohexane derivative Deposited 2009-08-03 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 235–467（233 aa）
Chain B 125–178（54 aa） Fragment：UNP RESIDUES 125-178
Not recorded CA CALCIUM ION × 2 D14 7-chloro-N-[(1S,2R,4S)-4-(dimethylcarbamoyl)-2-{[(5-methyl-5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazol-2-yl)carbonyl]amino}cyclohexyl]isoquinoline-3-carboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 5；293 K；pH 5.00, VAPOR DIFFUSION, temperature 293K
Resolution 1.80 Å R-free 0.233
3K9X X-ray crystal structure of human fxa in complex with (S)-N-((2-METHYLBENZOFURAN-5-YLAMINO)(2-OXO-1-(2-OXO-2- (PYRROLIDIN-1-YL)ETHYL)AZEPAN-3- YLAMINO)METHYLENE)NICOTINAMIDE Deposited 2009-10-16 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 85–178（94 aa） Fragment：EGF-LIKE DOMAINS (UNP residues 85 to 178)
Chain B 235–472（238 aa） Fragment：CATALYTIC DOMAINS (UNP residues 235 to 472)
Not recorded GOL GLYCEROL × 5 MBM N-{N'-(2-methyl-1-benzofuran-5-yl)-N-[(3S)-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-3-yl]carbamimidoyl}pyridine-3-carboxamide × 1 CA CALCIUM ION × 1 NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；298 K；15-22% W/V PEG MME 5000, 0.01 M CALCIUM ACETATE, 0.35 M SODIUM ACETATE, 0.1 M LITHIUM SULFATE, 0.1 M MES, pH 6.0, VAPOR DIFFUSION HANGING DROP, temperature 298K
Resolution 1.90 Å R-free 0.240
3K9X X-ray crystal structure of human fxa in complex with (S)-N-((2-METHYLBENZOFURAN-5-YLAMINO)(2-OXO-1-(2-OXO-2- (PYRROLIDIN-1-YL)ETHYL)AZEPAN-3- YLAMINO)METHYLENE)NICOTINAMIDE Deposited 2009-10-16 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain C 85–178（94 aa） Fragment：EGF-LIKE DOMAINS (UNP residues 85 to 178)
Chain D 235–472（238 aa） Fragment：CATALYTIC DOMAINS (UNP residues 235 to 472)
Not recorded GOL GLYCEROL × 1 MBM N-{N'-(2-methyl-1-benzofuran-5-yl)-N-[(3S)-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-3-yl]carbamimidoyl}pyridine-3-carboxamide × 1 CA CALCIUM ION × 1 NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；298 K；15-22% W/V PEG MME 5000, 0.01 M CALCIUM ACETATE, 0.35 M SODIUM ACETATE, 0.1 M LITHIUM SULFATE, 0.1 M MES, pH 6.0, VAPOR DIFFUSION HANGING DROP, temperature 298K
Resolution 1.90 Å R-free 0.240
3KL6 Discovery of Tetrahydropyrimidin-2(1H)-one derivative TAK-442: A potent, selective and orally active factor Xa inhibitor Deposited 2009-11-06 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 235–475（241 aa） Fragment：Factor X heavy chain residues 235-475
Chain B 126–179（54 aa） Fragment：Factor X light chain residues 126-179
Not recorded 443 1-(1-{(2S)-3-[(6-chloronaphthalen-2-yl)sulfonyl]-2-hydroxypropanoyl}piperidin-4-yl)tetrahydropyrimidin-2(1H)-one × 1 EDO 1,2-ETHANEDIOL × 4 CA CALCIUM ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；293 K；25.% .PEG 3350, 0.1M .tris pH 8.5 , VAPOR DIFFUSION, SITTING DROP, temperature 293K
Resolution 1.45 Å R-free 0.212
3KQB Factor xa in complex with the inhibitor n-(3-fluoro-2'- (methylsulfonyl)biphenyl-4-yl)-1-(3-(5-oxo-4,5-dihydro-1h- 1,2,4-triazol-3-yl)phenyl)-3-(trifluoromethyl)-1h- pyrazole-5-carboxamide Deposited 2009-11-17 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 235–468（234 aa） Fragment：residues 235-468 of factor X uncleaved sequence
Chain L 127–178（52 aa） Fragment：residues 127-178 of factor X uncleaved sequence
Not recorded LGJ N-(3-FLUORO-2'-(METHYLSULFONYL)BIPHENYL-4-YL)-1-(3-(5-OXO-4,5-DIHYDRO-1H-1,2,4-TRIAZOL-3-YL)PHENYL)-3-(TRIFLUOROMETHYL)-1H-PYRAZOLE-5-CARBOXAMIDE × 1 NA SODIUM ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；277 K；200 mM NaOAc (pH 5.5), 18% PEG 6000, pH 5.500000, vapor diffusion, hanging drop, temperature 277K, VAPOR DIFFUSION, HANGING DROP
Resolution 2.25 Å R-free 0.221
3KQC Factor xa in complex with the inhibitor 6-(2'- (methylsulfonyl)biphenyl-4-yl)-1-(3-(5-oxo-4,5-dihydro-1h- 1,2,4-triazol-3-yl)phenyl)-3-(trifluoromethyl)-5,6- dihydro-1h-pyrazolo[3,4-c]pyridin-7(4h)-one Deposited 2009-11-17 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 235–468（234 aa） Fragment：residues 235-468 of factor X uncleaved sequence
Chain L 127–178（52 aa） Fragment：residues 127-178 of factor X uncleaved sequence
Not recorded LGK 6-(2'-(METHYLSULFONYL)BIPHENYL-4-YL)-1-(3-(5-OXO-4,5-DIHYDRO-1H-1,2,4-TRIAZOL-3-YL)PHENYL)-3-(TRIFLUOROMETHYL)-5,6-DIHYDRO-1H-PYRAZOLO[3,4-C]PYRIDIN-7(4H)-ONE × 1 NA SODIUM ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；277 K；200 mM NaOAc (pH 5.5), 18% PEG 6000, pH 5.500000, vapor diffusion, hanging drop, temperature 277K, VAPOR DIFFUSION, HANGING DROP
Resolution 2.20 Å R-free 0.224
3KQD Factor xa in complex with the inhibitor 1-(3-(5-oxo-4,5- dihydro-1h-1,2,4-triazol-3-yl)phenyl)-6-(2'-(pyrrolidin-1- ylmethyl)biphenyl-4-yl)-3-(trifluoromethyl)-5,6-dihydro- 1h-pyrazolo[3,4-c]pyridin-7(4h)-one Deposited 2009-11-17 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 235–468（234 aa） Fragment：residues 235-468 of factor X uncleaved sequence
Chain L 127–178（52 aa） Fragment：residues 127-178 of factor X uncleaved sequence
Not recorded LGL 1-(3-(5-OXO-4,5-DIHYDRO-1H-1,2,4-TRIAZOL-3-YL)PHENYL)-6-(2'-(PYRROLIDIN-1-YLMETHYL)BIPHENYL-4-YL)-3-(TRIFLUOROMETHYL)-5,6-DIHYDRO-1H-PYRAZOLO[3,4-C]PYRIDIN-7(4H)-ONE × 1 NA SODIUM ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；277 K；200 mM NaOAc (pH 5.5), 18% PEG 6000, pH 5.500000, vapor diffusion, hanging drop, temperature 277K, VAPOR DIFFUSION, HANGING DROP
Resolution 2.75 Å R-free 0.254
3KQE Factor xa in complex with the inhibitor 3-methyl-1-(3-(5- oxo-4,5-dihydro-1h-1,2,4-triazol-3-yl)phenyl)-6-(2'- (pyrrolidin-1-ylmethyl)biphenyl-4-yl)-5,6-dihydro-1h- pyrazolo[3,4-c]pyridin-7(4h)-one Deposited 2009-11-17 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 235–468（234 aa） Fragment：residues 235-468 of factor X uncleaved sequence
Chain L 127–178（52 aa） Fragment：residues 127-178 of factor X uncleaved sequence
Not recorded LGM 3-METHYL-1-(3-(5-OXO-4,5-DIHYDRO-1H-1,2,4-TRIAZOL-3-YL)PHENYL)-6-(2'-(PYRROLIDIN-1-YLMETHYL)BIPHENYL-4-YL)-5,6-DIHYDRO-1H-PYRAZOLO[3,4-C]PYRIDIN-7(4H)-ONE × 1 NA SODIUM ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；277 K；200 mM NaOAc (pH 5.5), 18% PEG 6000, pH 5.500000, vapor diffusion, hanging drop, temperature 277K, VAPOR DIFFUSION, HANGING DROP
Resolution 2.35 Å R-free 0.230
3LIW Factor XA in complex with (R)-2-(1-ADAMANTYLCARBAMOYLAMINO)-3-(3-CARBAMIDOYL-PHENYL)-N-PHENETHYL-PROPIONIC ACID AMIDE Deposited 2010-01-25 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 235–468（234 aa） Fragment：UNP RESIDUES 235-468
Chain B 128–178（51 aa） Fragment：UNP RESIDUES 128-178
Not recorded CA CALCIUM ION × 2 RUP (R)-2-(3-ADAMANTAN-1-YL-UREIDO)-3-(3-CARBAMIMIDOYL-PHENYL)-N-PHENETHYL-PROPIONAMIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.8；298 K；CACL2, PEG 6000, MES, PH 5.8, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 298.0K
Resolution 2.22 Å R-free 0.266
3M36 Factor XA in complex with the inhibitor 1-[3-(aminomethyl)phenyl]-N-[3-fluoro-2'-(methylsulfonyl)biphenyl-4-yl]-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide (DPC423) Deposited 2010-03-08 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 235–468（234 aa） Fragment：Peptidase S1
Chain L 127–178（52 aa） Fragment：UNP residues 127-178
Not recorded M35 1-[3-(aminomethyl)phenyl]-N-[3-fluoro-2'-(methylsulfonyl)biphenyl-4-yl]-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide × 1 CA CALCIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；277 K；200 mM Sodium Acetate, pH 5.5, 18% PEG6000, vapor diffusion, hanging drop, temperature 277K
Resolution 2.15 Å R-free 0.264
3M37 Factor XA in complex with the inhibitor 1-[2-(aminomethyl)phenyl]-N-(3-fluoro-2'-sulfamoylbiphenyl-4-yl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide (DPC602) Deposited 2010-03-08 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 235–468（234 aa） Fragment：Peptidase S1
Chain L 127–178（52 aa） Fragment：UNP residues 127-178
Not recorded M37 1-[2-(aminomethyl)phenyl]-N-(3-fluoro-2'-sulfamoylbiphenyl-4-yl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide × 1 CA CALCIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；277 K；200 mM Sodium Acetate, pH 5.5, 18% PEG6000, vapor diffusion, hanging drop, temperature 277K
Resolution 1.90 Å R-free 0.262
3Q3K Factor Xa in complex with a phenylenediamine derivative Deposited 2010-12-22 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 235–467（233 aa） Fragment：UNP RESIDUES 235-467
Chain B 125–178（54 aa） Fragment：UNP RESIDUES 125-178
Not recorded CA CALCIUM ION × 2 D90 N-(2-{[(5-chloro-1H-indol-2-yl)carbonyl]amino}phenyl)-5-methyl-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridine-2-carboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5；293 K；macro-seeding, soak at pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K
Resolution 2.00 Å R-free 0.216
3SW2 X-ray crystal structure of human FXA in complex with 6-chloro-N-((3S)-2-oxo-1-(2-oxo-2-((5S)-8-oxo-5,6-dihydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(2H,4H,8H)-yl)ethyl)piperidin-3-yl)naphthalene-2-sulfonamide Deposited 2011-07-13 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 85–178（94 aa） Fragment：Factor X light chain (UNP residues 85-178)
Chain B 235–472（238 aa） Fragment：Activated factor Xa heavy chain (UNP residues 235-472)
Not recorded FI1 6-chloro-N-((3S)-2-oxo-1-(2-oxo-2-((5S)-8-oxo-5,6-dihydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(2H,4H,8H)-yl)ethyl)piperidin-3-yl)naphthalene-2-sulfonamide × 1 NA SODIUM ION × 1 CA CALCIUM ION × 1 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；298 K；15-22% w/v PEG5000 MME, 0.01 M calcium acetate, 0.35 M sodium acetate, 0.1 M lithium sulfate, 0.1 M MES, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 2.42 Å R-free 0.262
3TK5 Factor Xa in complex with D102-4380 Deposited 2011-08-25 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 235–467（233 aa） Fragment：UNP RESIDUES 235-467
Chain B 125–178（54 aa） Fragment：UNP RESIDUES 125-178
Not recorded CA CALCIUM ION × 2 D1Q 4-{3-[(4-chlorophenyl)amino]-3-oxopropyl}-3-({[5-(propan-2-yl)-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridin-2-yl]carbonyl}amino)benzoic acid × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5；293 K；pH 5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.20 Å R-free 0.253
3TK6 factor Xa in complex with D46-5241 Deposited 2011-08-25 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 235–467（233 aa） Fragment：UNP RESIDUES 235-467
Chain B 125–178（54 aa） Fragment：UNP RESIDUES 125-178
Not recorded CA CALCIUM ION × 2 D46 N-[2-({[(5-chlorothiophen-2-yl)carbonyl]amino}methyl)phenyl]-5-methyl-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridine-2-carboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5；293 K；pH 5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 1.80 Å R-free 0.241
4A7I Factor Xa in complex with a potent 2-amino-ethane sulfonamide inhibitor Deposited 2011-11-14 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 84–179（96 aa） Fragment：DES-GLA FACTOR X LIGHT CHAIN, RESIDUES 84-179
Chain B 235–488（254 aa） Fragment：ACTIVATED FACTOR X HEAVY CHAIN, RESIDUES 235-488
Not recorded CA CALCIUM ION × 1 A7I 5-CHLORO-THIOPHENE-2-CARBOXYLIC ACID [2-(1--ISOPROPYL-PIPERIDIN-4-YLSULFAMOYL)-ETHYL]-AMIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 5.7；PROTEIN SOLUTION: 8 MG/ML PROTEIN, 5 MM MES (PH 5.7), 5 MM CACL2, 100 MM BENZAMIDINE. RESERVOIR: 18-20% PEG-600, 50 MM MES (PH 5.7). SOAKING: ADD 10 MM INHIBITOR.
Resolution 2.40 Å R-free 0.253
4BTI factor Xa in complex with the dual thrombin-FXa inhibitor 58. Deposited 2013-06-18 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain E 84–179（96 aa）
Chain F 235–488（254 aa）
Not recorded CA CALCIUM ION × 1 7R9 5-Chloro-thiophene-2-carboxylic acid [(S)-2-[2-difluoromethoxy-3-(2-oxo-piperidin-1-yl)-benzenesulfonylamino]-3-((S)-3-dimethylamino-pyrrolidin-1-yl)-3-oxo-propyl]-amide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.7；PROTEIN SOLUTION: 8 MG/ML DESGLA FACTOR XA, 5 MM MES (PH 6.0), 5 MM CACL2, 100 MM BENZAMIDINE. RESERVOIR SOLUTION: 18-20% PEG600, 50 MM MES (PH 5.7). HANGING DROP SETUP.
Resolution 2.30 Å R-free 0.224
4BTI factor Xa in complex with the dual thrombin-FXa inhibitor 58. Deposited 2013-06-18 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 84–179（96 aa）
Chain B 235–488（254 aa）
Not recorded CA CALCIUM ION × 1 7R9 5-Chloro-thiophene-2-carboxylic acid [(S)-2-[2-difluoromethoxy-3-(2-oxo-piperidin-1-yl)-benzenesulfonylamino]-3-((S)-3-dimethylamino-pyrrolidin-1-yl)-3-oxo-propyl]-amide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.7；PROTEIN SOLUTION: 8 MG/ML DESGLA FACTOR XA, 5 MM MES (PH 6.0), 5 MM CACL2, 100 MM BENZAMIDINE. RESERVOIR SOLUTION: 18-20% PEG600, 50 MM MES (PH 5.7). HANGING DROP SETUP.
Resolution 2.30 Å R-free 0.224
4BTT factor Xa in complex with the dual thrombin-FXa inhibitor 31. Deposited 2013-06-19 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain E 84–179（96 aa） Fragment：LIGHT CHAIN, RESIDUES 84-179
Chain F 235–488（254 aa） Fragment：HEAVY CHAIN, RESIDUES 235-488
Not recorded CA CALCIUM ION × 1 VYR N-[(S)-1-[5-(5-Chloro-thiophen-2-yl)-isoxazol-3-ylmethyl]-2-(4-methoxy-piperidin-1-yl)-2-oxo-ethyl]-2-ethyl-3-(3-oxo-morpholin-4-yl)-benzenesulfonamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.7；PROTEIN SOLUTION: 8 MG/ML DESGLA FACTOR XA, 5 MM MES (PH 6.0), 5 MM CACL2, 100 MM BENZAMIDINE. RESERVOIR SOLUTION: 18-20% PEG600, 50 MM MES (PH 5.7). HANGING DROP SETUP.
Resolution 2.59 Å R-free 0.236
4BTT factor Xa in complex with the dual thrombin-FXa inhibitor 31. Deposited 2013-06-19 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 84–179（96 aa） Fragment：LIGHT CHAIN, RESIDUES 84-179
Chain B 235–488（254 aa） Fragment：HEAVY CHAIN, RESIDUES 235-488
Not recorded CA CALCIUM ION × 1 VYR N-[(S)-1-[5-(5-Chloro-thiophen-2-yl)-isoxazol-3-ylmethyl]-2-(4-methoxy-piperidin-1-yl)-2-oxo-ethyl]-2-ethyl-3-(3-oxo-morpholin-4-yl)-benzenesulfonamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.7；PROTEIN SOLUTION: 8 MG/ML DESGLA FACTOR XA, 5 MM MES (PH 6.0), 5 MM CACL2, 100 MM BENZAMIDINE. RESERVOIR SOLUTION: 18-20% PEG600, 50 MM MES (PH 5.7). HANGING DROP SETUP.
Resolution 2.59 Å R-free 0.236
4BTU Factor Xa in complex with the dual thrombin-FXa inhibitor 57. Deposited 2013-06-19 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 84–179（96 aa） Fragment：LIGHT CHAIN, RESIDUES 84-179
Chain B 235–488（254 aa） Fragment：HEAVY CHAIN, RESIDUES 235-488
Not recorded CA CALCIUM ION × 1 6XS 5-Chloro-thiophene-2-carboxylic acid [(S)-2-[2-chloro-5-fluoro-3-(2-oxo-piperidin-1-yl)-benzenesulfonylamino]-3-(4-methyl-piperazin-1-yl)-3-oxo-propyl]-amide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.7；PROTEIN SOLUTION: 8 MG/ML REMARK 280 DESGLA FACTOR XA, 5 MM MES (PH 6.0), 5 MM CACL2, 100 MM REMARK 280 BENZAMIDINE. RESERVOIR SOLUTION: 18-20% PEG600, 50 MM MES REMARK 280 (PH 5.7). HANGING DROP SETUP.
Resolution 2.37 Å R-free 0.248
4BTU Factor Xa in complex with the dual thrombin-FXa inhibitor 57. Deposited 2013-06-19 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain E 84–179（96 aa） Fragment：LIGHT CHAIN, RESIDUES 84-179
Chain F 235–488（254 aa） Fragment：HEAVY CHAIN, RESIDUES 235-488
Not recorded CA CALCIUM ION × 1 6XS 5-Chloro-thiophene-2-carboxylic acid [(S)-2-[2-chloro-5-fluoro-3-(2-oxo-piperidin-1-yl)-benzenesulfonylamino]-3-(4-methyl-piperazin-1-yl)-3-oxo-propyl]-amide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.7；PROTEIN SOLUTION: 8 MG/ML REMARK 280 DESGLA FACTOR XA, 5 MM MES (PH 6.0), 5 MM CACL2, 100 MM REMARK 280 BENZAMIDINE. RESERVOIR SOLUTION: 18-20% PEG600, 50 MM MES REMARK 280 (PH 5.7). HANGING DROP SETUP.
Resolution 2.37 Å R-free 0.248
4Y6D Factor Xa complex with GTC000101 Deposited 2015-02-12 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 235–488（254 aa）
Chain B 46–179（134 aa） Fragment：FACTOR X LIGHT CHAIN, UNP residues 46-179
Not recorded 48U 4-[(3S)-3-({[(E)-2-(5-chlorothiophen-2-yl)ethenyl]sulfonyl}amino)-2-oxopyrrolidin-1-yl]-3-fluoro-N,N-dimethylbenzamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；16-20% PEG 6K, 50mM Mes-NaOH pH 5.7-6.0, 5 mM CaCl2, and 50 mM NaCl
Resolution 1.55 Å R-free 0.233
4Y71 Factor Xa complex with GTC000398 Deposited 2015-02-13 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 235–488（254 aa）
Chain B 46–179（134 aa） Fragment：UNP residues 46-179
Not recorded CA CALCIUM ION × 1 48W 6-chloro-N-{(3S)-1-[(2S)-1-(4-methyl-5-oxo-1,4-diazepan-1-yl)-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl}naphthalene-2-sulf onamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；16 - 20 % PEG 6000, 50 mM MES-NaOH (pH 5.7-6.0), 5 mM calcium chloride, 50 mM sodium chloride
Resolution 1.80 Å R-free 0.240
4Y76 Factor Xa complex with GTC000401 Deposited 2015-02-13 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 235–488（254 aa）
Chain B 46–179（134 aa） Fragment：UNP residues 46-179
Not recorded CA CALCIUM ION × 1 4O1 N~2~-[(6-chloronaphthalen-2-yl)sulfonyl]-N~2~-{(3S)-1-[(2S)-1-(4-methyl-1,4-diazepan-1-yl)-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl}glycinamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.75；293 K；18% PEG 6000, 100 mm MES PH 5.75, 10 mm calcium chloride
Resolution 2.00 Å R-free 0.236
4Y79 Factor Xa complex with GTC000406 Deposited 2015-02-13 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 235–488（254 aa）
Chain B 46–179（134 aa） Fragment：UNP residues 46-179
Not recorded CA CALCIUM ION × 1 MG MAGNESIUM ION × 1 4O6 (E)-2-(4-chlorophenyl)-N-{(3S)-1-[(2S)-1-(morpholin-4-yl)-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl}ethenesulfonamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.75；293 K；18% PEG 6000, 100 mM MES PH5.75, 10 mM calcium chloride
Resolution 2.10 Å R-free 0.216
4Y7A Factor Xa complex with GTC000422 Deposited 2015-02-13 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 235–488（254 aa）
Chain B 46–179（134 aa） Fragment：UNP residues 46-179
Not recorded CA CALCIUM ION × 1 MG MAGNESIUM ION × 1 987 N-[(3S)-1-{(2S)-1-[(3S)-3-aminopiperidin-1-yl]-1-oxopropan-2-yl}-2-oxopyrrolidin-3-yl]-6-chloronaphthalene-2-sulfonamid e × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；18% PEG 6000, 100 mM MES PH 5.75, 10 mM calcium chloride
Resolution 1.99 Å R-free 0.236
4Y7B Factor Xa complex with GTC000441 Deposited 2015-02-13 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 235–488（254 aa）
Chain B 46–179（134 aa） Fragment：UNP residues 46-179
Not recorded CA CALCIUM ION × 1 44I 6-chloro-N-{(3S)-1-[(2S)-1-{(1R,5S)-7-[2-(methylamino)ethyl]-3,7-diazabicyclo[3.3.1]non-3-yl}-1-oxopropan-2-yl]-2-oxopy rrolidin-3-yl}naphthalene-2-sulfonamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.75；293 K；18% PEG 6000, 100 mM MES PH 5.75, 10 mM calcium chloride
Resolution 1.79 Å R-free 0.212
4ZH8 Factor Xa complex with GTC000006 Deposited 2015-04-24 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 235–488（254 aa） Fragment：residues 235 - 488
Chain B 46–179（134 aa） Fragment：residues 43-179
Not recorded CA CALCIUM ION × 1 4O4 6-chloro-N-{(3S)-1-[(2S)-1-(morpholin-4-yl)-1-oxopropan-2-yl]-2-oxo-2,3-dihydro-1H-pyrrol-3-yl}-N-(2-oxobutyl)naphthalene-2-sulfonamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；16-20% PEG 6K, 50 mM Mes=NaOH pH 5.7-6.0, 5 mM CaCl2 and 50 mM NaCl
Resolution 1.80 Å R-free 0.255
4ZHA Factor Xa complex with GTC000102 Deposited 2015-04-24 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 235–488（254 aa） Fragment：residues 235-488
Chain B 46–179（134 aa） Fragment：residues 46-179
Not recorded CA CALCIUM ION × 1 MG MAGNESIUM ION × 1 4O5 4-[(3S)-3-({[(E)-2-(5-chlorothiophen-2-yl)ethenyl]sulfonyl}amino)-2-oxo-2,3-dihydro-1H-pyrrol-1-yl]-3-fluoro-N-methylbenzamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；16-20% PEG 6K, 50 mM Mes-NaOH (pH 5.7-6.0), 5 mM CaCl2, and 50 mM NaCl
Resolution 1.86 Å R-free 0.238
5JQY Aspartyl/Asparaginyl beta-hydroxylase (AspH)oxygenase and TPR domains in complex with manganese, N-oxalylglycine and factor X substrate peptide fragment(39mer-4Ser) Deposited 2016-05-05 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 86–124（39 aa） Fragment：UNP residues 86-124
Not recorded MN MANGANESE (II) ION × 1 OGA N-OXALYLGLYCINE × 1 ACT ACETATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8；277 K；100mM SPG buffer, 25% PEG 1500, 2mM NOG, 1mM MnCl2, 18mg/ml protein
Resolution 1.99 Å R-free 0.205
5JTC Aspartyl/Asparaginyl beta-hydroxylase (AspH)oxygenase and TPR domains in complex with manganese, 2,4-pyridine dicarboxylate and factor X substrate peptide fragment(39mer-4Ser) Deposited 2016-05-09 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 86–124（39 aa） Fragment：UNP Residues 86-124
Not recorded MN MANGANESE (II) ION × 1 PD2 PYRIDINE-2,4-DICARBOXYLIC ACID × 1 BR BROMIDE ION × 1 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；277 K；20% PEG3350, 200mM NaBr, 100mM BisTris Propane, 1mM MnCl2, 2mM 2,4-PDCA, 330uM ASPH, 726uM Factor X
Resolution 2.24 Å R-free 0.208
5JZ8 Aspartyl/Asparaginyl beta-hydroxylase (AspH)oxygenase and TPR domains in complex with manganese, N-oxalylglycine, and factor X substrate peptide fragment (39mer) Deposited 2016-05-16 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 86–124（39 aa）
Not recorded MN MANGANESE (II) ION × 1 OGA N-OXALYLGLYCINE × 1 ACT ACETATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；277 K；100 mM Bis-tris propane, 200mM sodium acetate, 20% PEG 3350, 1 mM manganese chloride, 2 mM N-oxalylglycine, 726 uM FX peptide, 18 mg/ml protein
Resolution 2.10 Å R-free 0.216
5JZU Aspartyl/Asparaginyl beta-hydroxylase (AspH)oxygenase and TPR domains in complex with manganese, N-oxalylglycine and factor X substrate peptide fragment (26mer) Deposited 2016-05-17 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 86–111（26 aa）
Not recorded MN MANGANESE (II) ION × 1 OGA N-OXALYLGLYCINE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；277 K；100 mM Bis-tris propane, 20 mM sodium/potassium phosphate, 20% PEG 3350, 1 mM manganese chloride, 2 mM N-oxalylglycine, 1.65 mM factor X peptide, 18 mg/ml asph protein
Resolution 2.50 Å R-free 0.229
5K0H Human factor Xa in complex with synthetic inhibitor benzylsulfonyl-dSer(Benzyl)-Gly-4-amidinobenzylamide Deposited 2016-05-17 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 235–468（234 aa）
Chain B 128–178（51 aa）
Not recorded CA CALCIUM ION × 2 6PK O-benzyl-N-(benzylsulfonyl)-D-seryl-N-[(4-carbamimidoylphenyl)methyl]glycinamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；100 mM MES, 12-18 % PEG6000, 5 mM CaCl2
Resolution 2.20 Å R-free 0.261
5VOE DesGla-XaS195A Bound to Aptamer 11F7t Deposited 2017-05-02 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein–RNA Homooligomer；Protein × 2 PDB declaration: trimeric
Chain H 235–467（233 aa） Fragment：residues 235-467
Chain L 128–178（51 aa） Fragment：residues 128-178
Mutation：S419A NA SODIUM ION × 1 CA CALCIUM ION × 1 MG MAGNESIUM ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；298 K；0.1 M Bicine, 0.1 M Tris base, 0.1 M Carboxylic Acids, 10% PEG 20,000, 20% PEG 500 monomethyl ester
Resolution 2.00 Å R-free 0.248
5VOF DesGla-XaS195A Bound to Aptamer 11F7t and Rivaroxaban Deposited 2017-05-02 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein–RNA Homooligomer；Protein × 2 PDB declaration: trimeric
Chain H 235–467（233 aa） Fragment：residue 235-467
Chain L 128–178（51 aa） Fragment：residues 128-178
Mutation：S419A RIV 5-chloro-N-({(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl}methyl)thiophene-2-carboxamide × 1 NA SODIUM ION × 1 CA CALCIUM ION × 1 MG MAGNESIUM ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；298 K；0.1 M Bicine, 0.1 M Tris base, 0.1 M Carboxylic acids, 10% PEG 20,000, 20% PEG 500 MME
Resolution 2.25 Å R-free 0.253
6Q9F Aspartyl/Asparaginyl beta-hydroxylase (AspH) H679A in complex with Mn, NOG and Factor X peptide fragment (39mer-4Ser) Deposited 2018-12-18 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 86–124（39 aa）
Mutation：C90S, C95S, C112S, C121S MN MANGANESE (II) ION × 1 OGA N-OXALYLGLYCINE × 1 GOL GLYCEROL × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8；277 K；0.2 M sodium chloride 0.1 M Tris-HCl 8.0 20 % w/v PEG 6000
Resolution 1.63 Å R-free 0.200
6Q9I Aspartyl/Asparaginyl beta-hydroxylase (AspH) H679A in complex with Factor X peptide fragment (39mer-4Ser) Deposited 2018-12-18 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 86–124（39 aa）
Mutation：C90S, C95S, C112S, C121S FMT FORMIC ACID × 3 GOL GLYCEROL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；277 K；0.2 M sodium formate, 20 % w/v PEG 3350
Resolution 1.85 Å R-free 0.223
6YYW Aspartyl/Asparaginyl beta-hydroxylase (AspH) oxygenase and TPR domains in complex with manganese, 2-oxoglutarate, and factor X substrate peptide fragment(39mer-4Ser) Deposited 2020-05-06 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 86–124（39 aa）
Not recorded MN MANGANESE (II) ION × 1 AKG 2-OXOGLUTARIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；277 K；100 mM Bis Tris Propane, 200 mM sodium acetate trihydrate, 20% w/v PEG 3350, 1 mM manganese chloride, 2 mM 2-oxoglutarate, 18 mg/ml protein
Resolution 2.27 Å R-free 0.224
6YYX Aspartyl/Asparaginyl beta-hydroxylase (AspH) oxygenase and TPR domains in complex with manganese, 3-methyl-2-oxoglutarate, and factor X substrate peptide fragment(39mer-4Ser) Deposited 2020-05-06 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 86–124（39 aa）
Not recorded MN MANGANESE (II) ION × 1 Q1Z (3~{R})-3-methyl-2-oxidanylidene-pentanedioic acid × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；277 K；200 mM Bis Tris Propane, 200 mM sodium/potassium phosphate, 20% w/v PEG 3350, 1 mM manganese chloride, 2 mM 3-methyl-2-oxoglutarate, 18 mg/ml protein
Resolution 1.53 Å R-free 0.192
6YYY Aspartyl/Asparaginyl beta-hydroxylase (AspH) oxygenase and TPR domains in complex with manganese, 4,4-dimethyl-2-oxoglutarate, and factor X substrate peptide fragment(39mer-4Ser) Deposited 2020-05-06 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 86–124（39 aa）
Not recorded MN MANGANESE (II) ION × 1 Q1W 2,2-dimethyl-4-oxidanylidene-pentanedioic acid × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；200 mM sodium bromide, 20% w/v PEG 3350, 1 mM manganese chloride, 2 mM 4,4-dimethyl-2-oxoglutarate, 18 mg/ml protein
Resolution 2.29 Å R-free 0.244
6Z6Q Aspartyl/Asparaginyl beta-hydroxylase (AspH) oxygenase and TPR domains in complex with manganese, 3-ethyl-2-oxoglutarate, and factor X substrate peptide fragment(39mer-4Ser) Deposited 2020-05-29 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 86–124（39 aa）
Not recorded GOL GLYCEROL × 1 MN MANGANESE (II) ION × 1 QA8 (3~{R})-3-ethyl-2-oxidanylidene-pentanedioic acid × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；277 K；100 mM HEPES sodium, 200 mM ammonium chloride, 20% w/v PEG 6000, 1 mM manganese chloride, 2 mM 3-ethyl-2-oxoglutarate, 18 mg/ml protein
Resolution 1.81 Å R-free 0.232
6Z6R Aspartyl/Asparaginyl beta-hydroxylase (AspH) oxygenase and TPR domains in complex with manganese, N-oxalyl-alpha-methylalanine, and factor X substrate peptide fragment(39mer-4Ser) Deposited 2020-05-29 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 86–124（39 aa）
Not recorded MN MANGANESE (II) ION × 1 BR BROMIDE ION × 1 GOL GLYCEROL × 1 UQK N-oxalyl-alpha-methylalanine × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；277 K；100 mM Bis Tris propane, 200 mM sodium bromide, 20% w/v PEG 3350, 1 mM manganese chloride, 2 mM N-oxalyl-alpha-methylalanine, 18 mg/ml protein
Resolution 2.13 Å R-free 0.242
7AHU Anti-FX Fab of mim8 in complex with human FXa Deposited 2020-09-25 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain C 235–475（241 aa）
Chain D 126–182（57 aa）
Not recorded 0GJ L-alpha-glutamyl-N-{(1S)-4-{[amino(iminio)methyl]amino}-1-[(1S)-2-chloro-1-hydroxyethyl]butyl}glycinamide × 1 CA CALCIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；291 K；0.2 M sodium acetate, 0.1 M sodium cacodylate, pH 6.5, 18 % (w/v) PEG 8000
Resolution 2.60 Å R-free 0.263
7AHU Anti-FX Fab of mim8 in complex with human FXa Deposited 2020-09-25 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain E 235–475（241 aa）
Chain F 126–182（57 aa）
Not recorded 0GJ L-alpha-glutamyl-N-{(1S)-4-{[amino(iminio)methyl]amino}-1-[(1S)-2-chloro-1-hydroxyethyl]butyl}glycinamide × 1 CA CALCIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；291 K；0.2 M sodium acetate, 0.1 M sodium cacodylate, pH 6.5, 18 % (w/v) PEG 8000
Resolution 2.60 Å R-free 0.263
7BMI Aspartyl/Asparaginyl beta-hydroxylase (AspH) oxygenase and TPR domains in complex with manganese, 3-fluoropyridine-2,4-dicarboxylic acid, and factor X substrate peptide fragment (39mer-4Ser) Deposited 2021-01-20 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 86–124（39 aa）
Not recorded MN MANGANESE (II) ION × 1 U4B 3-fluoranylpyridine-2,4-dicarboxylic acid × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；277 K；100 mM HEPES sodium, 200 mM ammonium chloride, 20% w/v PEG 4000, 1 mM manganese chloride, 2 mM 2-oxoglutarate, 18 mg/ml protein
Resolution 1.66 Å R-free 0.220
7BMJ Aspartyl/Asparaginyl beta-hydroxylase (AspH) oxygenase and TPR domains in complex with manganese, 5-fluoropyridine-2,4-dicarboxylic acid, and factor X substrate peptide fragment (39mer-4Ser) Deposited 2021-01-20 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 86–124（39 aa）
Not recorded MN MANGANESE (II) ION × 1 U4Q 5-fluoranylpyridine-2,4-dicarboxylic acid × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；200 mM sodium nitrate, 20% w/v PEG 3350, 1 mM manganese chloride, 18 mg/ml protein
Resolution 1.75 Å R-free 0.251
7E6J Aspartyl/Asparaginyl beta-hydroxylase (AspH) H725A in complex with Factor X peptide fragment (39mer-4Ser) Deposited 2021-02-22 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 86–124（39 aa）
Mutation：C90S,C95S,C112S,C121S GOL GLYCEROL × 3 PPI PROPANOIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；277 K；100mM PCTP, 25% w/v PEG 1500
Resolution 1.90 Å R-free 0.213
7TPP Cryo-em structure of human prothrombin:prothrombinase at 4.1 Angstrom resolution Deposited 2022-01-25 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain A 41–179（139 aa） Fragment：UNP residues 41-179
Chain B 235–488（254 aa） Fragment：UNP residues 235-488
Mutation：S379A No recorded non-water small molecule ELECTRON MICROSCOPY
cryo-EM buffer pH 7.4；20mM Hepes, 150mM NaCl, 5mM CaCl2
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 4.10 Å
7YB9 Aspartyl/Asparaginyl beta-hydroxylase (AspH) oxygenase and TPR domains in complex with L-2-hydroxyglutarate and factor X-derived peptide (39mer-4Ser) Deposited 2022-06-29 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 86–124（39 aa）
Mutation：C90S, C95S, C112S, C121S MN MANGANESE (II) ION × 1 S2G (2S)-2-HYDROXYPENTANEDIOIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；277 K；0.2 M lithium chloride, 20 % w/v Polyethylene glycol 6,000, 0.1 M Bis-Tris propane
Resolution 1.54 Å R-free 0.215
7YBB Aspartyl/Asparaginyl beta-hydroxylase (AspH) oxygenase and TPR domains in complex with D-4-hydroxy-2-oxoglutarate and factor X-derived peptide (39mer-4Ser) Deposited 2022-06-29 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 86–124（39 aa）
Not recorded MN MANGANESE (II) ION × 1 IO9 (2~{R})-2-oxidanyl-4-oxidanylidene-pentanedioic acid × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；277 K；0.02 M Sodium/potassium phosphate, 20 % w/v Polyethylene glycol 3,350, 0.1 M Bis-Tris propane
Resolution 1.68 Å R-free 0.219
7YBC Aspartyl/Asparaginyl beta-hydroxylase (AspH) oxygenase and TPR domains in complex with (S)-4-hydroxy-4-methyl-2-oxoglutarate and factor X-derived peptide (39mer-4Ser) Deposited 2022-06-29 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 86–124（39 aa）
Mutation：C90S, C95S, C112S, C121S MN MANGANESE (II) ION × 1 GOL GLYCEROL × 1 IOW (2~{S})-2-methyl-2-oxidanyl-4-oxidanylidene-pentanedioic acid × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；277 K；0.2 M Sodium acetate trihydrate, 20 % w/v Polyethylene glycol 3,350, 0.1 M Bis Tris propane
Resolution 1.84 Å R-free 0.199
8RE5 Aspartyl/Asparaginyl beta-hydroxylase (AspH) R735Q variant in complex with Mn, 2-oxosuberate and a Factor X derived peptide fragment Deposited 2023-12-10 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 86–124（39 aa）
Mutation：C90S, C95S, C112S, C121S YQX 2-oxidanylideneoctanedioic acid × 2 MN MANGANESE (II) ION × 1 CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；298 K；0.1 M bis tris propane pH 7.5, 0.2 M NaBr, 20% PEG 3350
Resolution 1.70 Å R-free 0.207
8RE6 Aspartyl/Asparaginyl beta-hydroxylase (AspH) R735Q variant in complex with Mn, 2-oxoglutarate and a Factor X derived peptide fragment Deposited 2023-12-10 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 86–124（39 aa）
Mutation：C90S, C95S, C112S, C121S MN MANGANESE (II) ION × 1 AKG 2-OXOGLUTARIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；298 K；0.1 M HEPES pH 7.5, 0.2 M NaCl, 20% PEG 3350
Resolution 1.92 Å R-free 0.216
8RE7 Aspartyl/Asparaginyl beta-hydroxylase (AspH) R735W variant in complex with Mn, 2-oxoglutarate and a Factor X derived peptide fragment Deposited 2023-12-10 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 86–124（39 aa）
Mutation：C90S, C95S, C112S, C121S AKG 2-OXOGLUTARIC ACID × 1 MN MANGANESE (II) ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；298 K；0.1 M HEPES pH 7.5, 0.2 M NaCl, 20% PEG 3350
Resolution 1.95 Å R-free 0.242
8RE8 Aspartyl/Asparaginyl beta-hydroxylase (AspH) R688Q variant in complex with Mn, (3R)-methyl-2-oxoglutarate and a Factor X derived peptide fragment Deposited 2023-12-10 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 86–124（39 aa）
Mutation：C90S, C95S, C112S, C121S Q1Z (3~{R})-3-methyl-2-oxidanylidene-pentanedioic acid × 1 PEG DI(HYDROXYETHYL)ETHER × 5 MN MANGANESE (II) ION × 1 CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；298 K；0.1 M HEPES pH 7.5, 0.2 M NaCl, 20% PEG 3350
Resolution 1.85 Å R-free 0.208
8RE9 Aspartyl/Asparaginyl beta-hydroxylase (AspH) in complex with Mn, 2-oxoglutarate and a Factor X derived peptide fragment Deposited 2023-12-10 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 86–124（39 aa）
Mutation：C90S, C95S, C112S, C121S AKG 2-OXOGLUTARIC ACID × 1 MN MANGANESE (II) ION × 1 PEG DI(HYDROXYETHYL)ETHER × 6 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；298 K；0.1 M HEPES pH 7.5 20 % v/v PEG Smear High (BCS screen)
Resolution 1.84 Å R-free 0.196
9BVL Vitamin K-dependent gamma-carboxylase with factor X propeptide and glutamate-rich region and with vitamin K hydroquinone Deposited 2024-05-20 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different structure-quality metrics Assembly 1 Other combination Heteromer；Protein × 2 PDB declaration: dimeric
Chain P 22–85（64 aa） Fragment：residues 22-85
Not recorded A1AVC vitamin K1 hydroquinone × 1 6PL (4S,7R)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSAN-1-AMINIUM 4-OXIDE × 2 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.40 Å
9CLI Cryo-EM model derived from localized reconstruction of human adenovirus (Ad5)-hexon-FX complex at 3.6A resolution Deposited 2024-07-11 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain Z 1–488（488 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) CA CALCIUM ION × 7 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.2
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.61 Å
9CM2 Cryo-EM model derived from localized reconstruction of human adenovirus 6-hexon-FX complex at 4.3A resolution Deposited 2024-07-12 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain Z 1–488（488 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) CA CALCIUM ION × 4 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.2
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 5.01 Å
9CTH Preliminary map of the Prothrombin-prothrombinase complex on nano discs Deposited 2024-07-25 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 41–182（142 aa）
Chain C 235–469（235 aa）
Mutation：S195A NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 6 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.4；20 mM HEPES, 150 mM NaCl, and 5 mM CaCl2
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 6.47 Å
9FVU Aspartyl/Asparaginyl beta-hydroxylase (AspH) in complex with Fe, 2-oxoglutarate, thiocyanate and Factor X derived peptide fragment Deposited 2024-06-28 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 86–124（39 aa）
Mutation：C90S, C95S, C112S, C121S AKG 2-OXOGLUTARIC ACID × 1 FE FE (III) ION × 1 PEG DI(HYDROXYETHYL)ETHER × 8 SCN THIOCYANATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；278 K；0.1 M bis tris propane pH 7.5, 0.2 M NaSCN, 20% PEG 3350
Resolution 1.70 Å R-free 0.187
9FVV Aspartyl/Asparaginyl beta-hydroxylase (AspH) in complex with Mn, 2OG, thiocyanate and Factor X peptide fragment (39mer-4Ser) Deposited 2024-06-28 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 86–124（39 aa）
Mutation：C90S, C95S, C112S, C121S AKG 2-OXOGLUTARIC ACID × 1 ACT ACETATE ION × 2 PEG DI(HYDROXYETHYL)ETHER × 1 MN MANGANESE (II) ION × 1 SCN THIOCYANATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；278 K；0.1 M bis tris propane pH 7.5, 0.2 M NaSCN, 20% PEG 3350
Resolution 1.60 Å R-free 0.191
9FVW Aspartyl/Asparaginyl beta-hydroxylase (AspH) in complex with Fe, 2OG, SIN and hydroxylated product of Factor X peptide fragment (39mer-4Ser) Deposited 2024-06-28 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 86–124（39 aa）
Mutation：C90S, C95S, C112S, C121S Non-standard monomer：Yes (specific site not provided by mmCIF) SIN SUCCINIC ACID × 1 AKG 2-OXOGLUTARIC ACID × 1 FE FE (III) ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；278 K；0.1 M bis tris propane pH 7.5, 0.2 M NaBr, 20% PEG 3350
Resolution 1.90 Å R-free 0.224
9FVX Aspartyl/Asparaginyl beta-hydroxylase (AspH) in complex with Fe, 2-oxoglutarate and Factor X derived peptide fragment Deposited 2024-06-28 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 86–124（39 aa）
Mutation：C90S, C95S, C112S, C121S AKG 2-OXOGLUTARIC ACID × 1 PEG DI(HYDROXYETHYL)ETHER × 7 CL CHLORIDE ION × 2 FE FE (III) ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；278 K；0.1 M bis tris propane pH 7.5, 0.2 M NaBr, 20% PEG 3350
Resolution 1.90 Å R-free 0.212
9FVY Aspartyl/Asparaginyl beta-hydroxylase (AspH) in complex with Fe, 2-oxoglutarate, succinate and the hudroxylated product of Factor X derived peptide fragment after O2 exposure Deposited 2024-06-28 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 86–124（39 aa）
Mutation：C90S, C95S, C112S, C121S Non-standard monomer：Yes (specific site not provided by mmCIF) AKG 2-OXOGLUTARIC ACID × 1 SIN SUCCINIC ACID × 1 PEG DI(HYDROXYETHYL)ETHER × 2 FE FE (III) ION × 1 GOL GLYCEROL × 1 CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；278 K；0.1 M bis tris propane pH 7.5, 0.2 M NaBr, 20% PEG 3350
Resolution 1.90 Å R-free 0.199
9FVZ Aspartyl/Asparaginyl beta-hydroxylase (AspH) in complex with Fe, 2-oxoglutarate and a Factor X derived peptide fragment Deposited 2024-06-28 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 86–124（39 aa）
Mutation：C90S, C95S, C112S, C121S AKG 2-OXOGLUTARIC ACID × 1 PEG DI(HYDROXYETHYL)ETHER × 6 GOL GLYCEROL × 1 FE FE (III) ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；278 K；0.1 M bis tris propane pH 7.5, 0.2 M NaBr, 20% PEG 3350
Resolution 1.98 Å R-free 0.213
9FW0 Room temperature structure of Aspartyl/Asparaginyl beta-hydroxylase (AspH) in complex with Fe, 2-oxoglutarate and Factor X derived peptide fragment Deposited 2024-06-28 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 86–124（39 aa）
Mutation：C90S, C95S, C112S, C121S AKG 2-OXOGLUTARIC ACID × 1 FE FE (III) ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions BATCH MODE；pH 7.5；278 K；16% PEG 3350, 0.1 M Bis Tris propane pH 7.5, 0.1 M KSCN
Resolution 1.95 Å R-free 0.207
9HNZ Room temperature structure of Aspartyl/Asparaginyl beta-hydroxylase (AspH) in complex with Fe, 2-oxoglutarate and hydroxylated Factor X derived peptide fragment, 2 h O2 exposure Deposited 2024-12-11 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 86–124（39 aa）
Mutation：C90S, C95S, C112S, C121S Non-standard monomer：Yes (specific site not provided by mmCIF) SIN SUCCINIC ACID × 1 FE FE (III) ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions BATCH MODE；pH 7.5；278 K；16% PEG3350, 0.1 M bis tris propane pH 7.5, 0.1 M KSCN
Resolution 2.40 Å R-free 0.237
9HO0 Aspartyl/Asparaginyl beta-hydroxylase (AspH) in complex with Fe, 2-oxoglutarate, succinate and the hydroxylated product of Factor X derived peptide fragment, 12 h O2 exposure Deposited 2024-12-11 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 86–124（39 aa）
Mutation：C90S, C95S, C112S, C121S Non-standard monomer：Yes (specific site not provided by mmCIF) SIN SUCCINIC ACID × 1 FE FE (III) ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions BATCH MODE；pH 7.5；278 K；16% PEG 3350, 0.1 M bis-tris propane pH 7.5, 0.1 M KSCN
Resolution 2.14 Å R-free 0.232
9HO1 Room temperature structure of Aspartyl/Asparaginyl beta-hydroxylase (AspH) in complex with Fe, 2-oxoglutarate, and hydroxylated Factor X derived peptide fragment, 1.5 s O2 exposure Deposited 2024-12-11 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 86–124（39 aa）
Mutation：C90S, C95S, C112S, C121S Non-standard monomer：Yes (specific site not provided by mmCIF) AKG 2-OXOGLUTARIC ACID × 1 SIN SUCCINIC ACID × 1 FE FE (III) ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions BATCH MODE；pH 7.5；278 K；16% PEG3350, 0.1M Bis Tris propane pH 7.5, 0.1 M KSCN
Resolution 1.85 Å R-free 0.221
9HO2 Room temperature structure of Aspartyl/Asparaginyl beta-hydroxylase (AspH) in complex with Fe, 2-oxoglutarate and Factor X derived peptide fragment, excess Fe removed Deposited 2024-12-11 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 86–124（39 aa）
Mutation：C90S, C95S, C112S, C121S AKG 2-OXOGLUTARIC ACID × 1 FE FE (III) ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions BATCH MODE；pH 7.5；278 K；16% PEG 3350, 0.1 M Bis Tris propane pH 7.5, 0.1 M KSCN
Resolution 1.83 Å R-free 0.219
9HO3 Aspartyl/Asparaginyl beta-hydroxylase (AspH) in complex with Fe, 2OG, nitric oxide, and Factor X peptide fragment Deposited 2024-12-11 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 86–124（39 aa）
Mutation：C90S, C95S, C112S, C121S NA SODIUM ION × 1 K POTASSIUM ION × 1 FE FE (III) ION × 1 AKG 2-OXOGLUTARIC ACID × 1 NO NITRIC OXIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；278 K；0.1 M bis tris propane pH 7.5, 16% PEG3350, 0.1 M KSCN
Resolution 2.39 Å R-free 0.242
9I24 Coagulation factor Xa complex with a2-loop peptide Deposited 2025-01-17 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain H 235–486（252 aa）
Chain L 126–179（54 aa）
Not recorded CA CALCIUM ION × 1 NA SODIUM ION × 1 CL CHLORIDE ION × 1 IMD IMIDAZOLE × 1 0GJ L-alpha-glutamyl-N-{(1S)-4-{[amino(iminio)methyl]amino}-1-[(1S)-2-chloro-1-hydroxyethyl]butyl}glycinamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；287 K；imidazole, MPD
Resolution 1.20 Å R-free 0.172
9I2H A 3.3 angstrom cryo-EM structure of an engineered high-affinity human prothrombinase complex Deposited 2025-01-20 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Heteromer；Protein × 4 PDB declaration: pentameric
Chain H 235–488（254 aa）
Chain L 41–179（139 aa）
Mutation：E129N, S130E, T132K, K134D, N166H, K169M, S173D, I175R, A233R, D239K Mutation：S90R, L91A, D92F, H101K, E102R, E103V, N105S CA CALCIUM ION × 2 NA SODIUM ION × 1 0GJ L-alpha-glutamyl-N-{(1S)-4-{[amino(iminio)methyl]amino}-1-[(1S)-2-chloro-1-hydroxyethyl]butyl}glycinamide × 1 CU COPPER (II) ION × 1 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5；20mM HEPES, 150mM NaCl and 5mM CaCl2
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.28 Å
9L6S double-mutant (K217A & K218A) Vitamin K-dependent gamma-carboxylase in complex with coagulation factors X and vitamin K Deposited 2024-12-25 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Heteromer；Protein × 2 PDB declaration: dimeric
Chain C 1–488（488 aa）
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 A1EMC 2-methyl-3-[(2~{E},6~{E},10~{E})-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]naphthalene-1,4-diol × 1 6PL (4S,7R)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSAN-1-AMINIUM 4-OXIDE × 2 CLR CHOLESTEROL × 1 ELECTRON MICROSCOPY
cryo-EM buffer pH 8
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 2.58 Å
9P0X Nanodisc-embedded human TF/FVIIa/XK1 in complex with 10H10 Fab (nanodisc-subtracted) Deposited 2025-06-07 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 7 PDB declaration: heptameric
Chain X 41–171（131 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) MG MAGNESIUM ION × 4 CA CALCIUM ION × 12 BGC beta-D-glucopyranose × 1 FUC alpha-L-fucopyranose × 1 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.4
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.70 Å
9R8R Factor Xa bound to BAY 3389934 Deposited 2025-05-16 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 235–468（234 aa）
Chain B 128–177（50 aa）
Not recorded CA CALCIUM ION × 1 A1JDJ 2-(1-methylimidazol-2-yl)ethyl (2~{S})-3-[(5-chloranylthiophen-2-yl)carbonylamino]-2-[[2-ethyl-3-[(3~{S})-3-oxidanyl-2-oxidanylidene-pyrrolidin-1-yl]phenyl]sulfonylamino]propanoate × 1 GOL GLYCEROL × 2 PE8 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.8；293 K；0.1M MES pH5.8, 3.5% PEG1000, 25% PEG600, 11% Glycerol
Resolution 2.04 Å R-free 0.266
9WF9 Cryo-EM structure of GGCX-FX complex Deposited 2025-08-21 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 23–50（28 aa）
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 POV (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate × 2 MX7 (2R)-3-(phosphonooxy)propane-1,2-diyl (9Z,9'Z)bis-octadec-9-enoate × 1 CLR CHOLESTEROL × 1 A1AT1 (1aR,7aS)-1a-methyl-7a-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-yl]-1a,7a-dihydronaphtho[2,3-b]oxirene-2,7-dione × 1 ELECTRON MICROSCOPY
cryo-EM buffer pH 8
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 2.83 Å
9YQ8 Cryo-EM complex of meizothrombinDESF1, factor Xa, and factor Va Deposited 2025-10-15 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain E 124–467（344 aa）
Mutation：S379A No recorded non-water small molecule ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.84 Å

183 other PDB entries and 220 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name FA10_HUMAN
Isoform —
PDB entities 5, 6
Chains and sequence ranges Author chain L； PDBConstruct 1–134； UniProt 46–179 Author chain C； PDBConstruct 1–254； UniProt 235–488

The page prioritizes protein identity, the current assembly, associated components, oligomeric state and cross-PDB links. Chain mapping and sequence ranges are retained as data evidence. Internal IDs, import timestamps and assembly operation expressions are maintenance fields and are not shown here.

SAXS scattering curve SAXS Profile

SAXS profile for 8eok

P(r) Distance Distribution P(r) Distribution

P(r) distribution for 8eok
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2. Structure Basics 2. Structure Basics

Entry ID entry_id8eok
Deposition date deposition_date2022-10-03
Structure title titleStructure of the C3bB proconvertase in complex with lufaxin and factor Xa
Keywords keywordsComplement, Alternative pathway, inhibitor, sand fly, IMMUNE SYSTEM; IMMUNE SYSTEM
Experimental Method methodELECTRON MICROSCOPY
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3. SAXS Parameters (CRYSOL theoretical calculation) 3. SAXS Parameters (CRYSOL)

Radius of gyration Rg (Guinier) rg_guinier53.82 Å
Radius of gyration Rg (electron density) rg_electron53.42 Å
Forward intensity I(0) i01436810000.00
Molecular weight molecular_weight316150.0 kDa
Excluded volume excluded_volume395630 ų
Envelope volume envelope_volume631350 ų
Hydration-shell volume shell_volume98121 ų
Envelope diameter envelope_diameter177.1 Å
Shell Rg shell_rg57.38 Å
Envelope Rg envelope_rg51.56 Å
Shape Rg shape_rg53.41 Å
Total Rg total_rg53.60 Å
Total atoms total_atoms22233
Residues n_residues2785
Spherical-harmonic order n_harmonics20
q range q_range— – 0.5000 Å−1
Data points n_points101
Shell type shell_typedirectional
Solvent electron density solvent_density0.3340 e/ų
Shell contrast contrast_shell0.0300 e/ų
CRYSOL version crysol_version4.1.3
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4. P(r) Distance Distribution (GNOM inversion) 4. P(r) Analysis (GNOM)

Maximum dimension Dmax dmax176.2 Å
Rg (real space) rg_real53.65 Å
Rg uncertainty (real space) rg_real_error1.19 Å
I(0) (real space) i0_real1.4370e+09
I(0) uncertainty (real space) i0_real_error2.6120e+07
Rg (reciprocal space) rg_reciprocal53.94 Å
I(0) (reciprocal space) i0_reciprocal1437000000.0000
Solution quality estimate total_estimate0.6639
Solution quality rating solution_quality REASONABLE a REASONABLE solution
P(r) peaks n_peaks1
Primary peak position r_peak_primary66.8 Å
Skewness Skewness skewness0.138
Kurtosis Kurtosis kurtosis-0.579
Angular range angular_range— – 0.1450 Å−1
Current regularization parameter α current_alpha0.0006
Highest regularization parameter α highest_alpha99730000.0000
Real-space data points n_real_points30
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.000; Oscil: 0.916; Stabil: 1.000; Sysdev: 0.001; Positv: 1.000; Valcen: 0.984; Smooth: 0.891
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5. Crystallography and Experiment 5. Crystallography & Experiment

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6. Entities and Polymers Entities & Polymers (9)

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7. Fold Classification (SCOP + CATH) 4 domains

CATH v4.4 (4 domains)

Domain ID domain_id8eokC01
Class class2 — Mainly Beta
Architecture architecture40 — Beta Barrel
Topology topology10 — Thrombin, subunit H
Homologous superfamily homologous superfamily10 — Trypsin-like serine proteases
Domain ID domain_id8eokH01
Class class2 — Mainly Beta
Architecture architecture60 — Sandwich
Topology topology40 — Immunoglobulin-like
Homologous superfamily homologous superfamily10 — Immunoglobulins
Domain ID domain_id8eokH02
Class class1 — Mainly Alpha
Architecture architecture50 — Alpha/alpha barrel
Topology topology10 — Glycosyltransferase
Homologous superfamily homologous superfamily20 —
Domain ID domain_id8eokH03
Class class2 — Mainly Beta
Architecture architecture40 — Beta Barrel
Topology topology50 — OB fold (Dihydrolipoamide Acetyltransferase, E2P)
Homologous superfamily homologous superfamily120 —
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8. Citations (1)

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9. Files and Curves (10)