6ffs

Structure-based design and synthesis of macrocyclic human rhinovirus 3C protease inhibitors

Method: X-RAY DIFFRACTION D_max: 52.4 Å Quality: GOOD

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1. Protein Identity and Related Structures Protein Identity & Related Structures

3C Protease

Human rhinovirus 2

State in the Current Structure

Assembly	Oligomeric State	Construct	Mutations and Modifications	Ligands, Ions and Associated Components	Method and Experimental Conditions	Structure Quality
1	Protein monomer Monomer Protein × 1 PDB declaration: monomeric（1） Consistent with protein copy count	Chain A； UniProt 1508–1687	Not recorded	D8E ~{N}-[(2~{S},5~{S},14~{S})-2-[(4-fluorophenyl)methyl]-5-(hydroxymethyl)-9-methyl-3,8,15-tris(oxidanylidene)-1,4,9-triazacyclopentadec-14-yl]-5-methyl-1,2-oxazole-3-carboxamide × 1 SO4 SULFATE ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION, SITTING DROP；277 K；2.0 M Ammonium Sulfate 0.1 M Na Acetate, pH 4.5	Resolution 1.86 Å R-free 0.172

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 6FFS	Assembly / Oligomeric State	Construct	Mutations and Modifications	Ligands, Ions and Non-polymers	Method and Experimental Conditions	Structure Quality
1A3R FAB FRAGMENT (ANTIBODY 8F5) COMPLEXED WITH PEPTIDE FROM HUMAN RHINOVIRUS (SEROTYPE 2) VIRAL CAPSID PROTEIN VP2 (RESIDUES 156-170) Deposited 1998-01-23	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric	Chain P 225–239（15 aa） Fragment：RESIDUES 156 - 170	Non-standard monomer：Yes (specific site not provided by mmCIF)	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions pH 7.5；FAB-PEPTIDE COMPLEX WAS CRYSTALLIZED FROM 0.9 M SODIUM CITRATE, 25 MM SODIUM CHLORIDE, 50 MM TRIS-HCL, PH 7.75, pH 7.5	Resolution 2.10 Å
1CQQ TYPE 2 RHINOVIRUS 3C PROTEASE WITH AG7088 INHIBITOR Deposited 1999-08-10	Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 1508–1687（180 aa）	Not recorded	AG7 4-{2-(4-FLUORO-BENZYL)-6-METHYL-5-[(5-METHYL-ISOXAZOLE-3-CARBONYL)-AMINO]-4-OXO-HEPTANOYLAMINO}-5-(2-OXO-PYRROLIDIN-3-YL)-PENTANOIC ACID ETHYL ESTER × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；286 K；20% PEG10K, 0.1M HEPES, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 13K	Resolution 1.85 Å
1FPN HUMAN RHINOVIRUS SEROTYPE 2 (HRV2) Deposited 2000-08-31	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 240 PDB declaration: 240-MERIC	Chain 1 568–856（289 aa） Chain 2 70–330（261 aa） Chain 3 331–567（237 aa） Chain 4 2–69（68 aa）	Not recorded	DAO LAURIC ACID × 60	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；ammonium sulphate, potassium phosphate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293.0K	Resolution 2.60 Å
1FPN HUMAN RHINOVIRUS SEROTYPE 2 (HRV2) Deposited 2000-08-31	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric	Chain 1 568–856（289 aa） Chain 2 70–330（261 aa） Chain 3 331–567（237 aa） Chain 4 2–69（68 aa）	Not recorded	DAO LAURIC ACID × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；ammonium sulphate, potassium phosphate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293.0K	Resolution 2.60 Å
1FPN HUMAN RHINOVIRUS SEROTYPE 2 (HRV2) Deposited 2000-08-31	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 3 Protein homooligomer Homooligomer；Protein × 20 PDB declaration: eicosameric	Chain 1 568–856（289 aa） Chain 2 70–330（261 aa） Chain 3 331–567（237 aa） Chain 4 2–69（68 aa）	Not recorded	DAO LAURIC ACID × 5	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；ammonium sulphate, potassium phosphate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293.0K	Resolution 2.60 Å
1FPN HUMAN RHINOVIRUS SEROTYPE 2 (HRV2) Deposited 2000-08-31	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 4 Protein homooligomer Homooligomer；Protein × 24 PDB declaration: 24-meric	Chain 1 568–856（289 aa） Chain 2 70–330（261 aa） Chain 3 331–567（237 aa） Chain 4 2–69（68 aa）	Not recorded	DAO LAURIC ACID × 6	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；ammonium sulphate, potassium phosphate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293.0K	Resolution 2.60 Å
1FPN HUMAN RHINOVIRUS SEROTYPE 2 (HRV2) Deposited 2000-08-31	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 5 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric	Chain 1 568–856（289 aa） Chain 2 70–330（261 aa） Chain 3 331–567（237 aa） Chain 4 2–69（68 aa）	Not recorded	DAO LAURIC ACID × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；ammonium sulphate, potassium phosphate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293.0K	Resolution 2.60 Å
1FPN HUMAN RHINOVIRUS SEROTYPE 2 (HRV2) Deposited 2000-08-31	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 6 Protein homooligomer Homooligomer；Protein × 60 PDB declaration: 60-meric	Chain 1 568–856（289 aa） Chain 2 70–330（261 aa） Chain 3 331–567（237 aa） Chain 4 2–69（68 aa）	Not recorded	DAO LAURIC ACID × 15	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；ammonium sulphate, potassium phosphate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293.0K	Resolution 2.60 Å
1V9U Human Rhinovirus 2 bound to a fragment of its cellular receptor protein Deposited 2004-02-03	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 300 PDB declaration: complete icosahedral assembly	Chain 1 568–856（289 aa） Chain 2 70–330（261 aa） Chain 3 331–567（237 aa） Chain 4 2–69（68 aa）	Not recorded	DAO LAURIC ACID × 60 CA CALCIUM ION × 60	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；293 K；Ammonim sulfate, sodium/potassium phosphate, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K	Resolution 3.60 Å R-free 0.295
1V9U Human Rhinovirus 2 bound to a fragment of its cellular receptor protein Deposited 2004-02-03	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric	Chain 1 568–856（289 aa） Chain 2 70–330（261 aa） Chain 3 331–567（237 aa） Chain 4 2–69（68 aa）	Not recorded	DAO LAURIC ACID × 1 CA CALCIUM ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；293 K；Ammonim sulfate, sodium/potassium phosphate, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K	Resolution 3.60 Å R-free 0.295
1V9U Human Rhinovirus 2 bound to a fragment of its cellular receptor protein Deposited 2004-02-03	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 3 Protein heterocomplex Heteromer；Protein × 25 PDB declaration: 25-meric	Chain 1 568–856（289 aa） Chain 2 70–330（261 aa） Chain 3 331–567（237 aa） Chain 4 2–69（68 aa）	Not recorded	DAO LAURIC ACID × 5 CA CALCIUM ION × 5	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；293 K；Ammonim sulfate, sodium/potassium phosphate, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K	Resolution 3.60 Å R-free 0.295
1V9U Human Rhinovirus 2 bound to a fragment of its cellular receptor protein Deposited 2004-02-03	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 4 Protein heterocomplex Heteromer；Protein × 30 PDB declaration: 30-meric	Chain 1 568–856（289 aa） Chain 2 70–330（261 aa） Chain 3 331–567（237 aa） Chain 4 2–69（68 aa）	Not recorded	DAO LAURIC ACID × 6 CA CALCIUM ION × 6	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；293 K；Ammonim sulfate, sodium/potassium phosphate, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K	Resolution 3.60 Å R-free 0.295
1V9U Human Rhinovirus 2 bound to a fragment of its cellular receptor protein Deposited 2004-02-03	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 5 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric	Chain 1 568–856（289 aa） Chain 2 70–330（261 aa） Chain 3 331–567（237 aa） Chain 4 2–69（68 aa）	Not recorded	DAO LAURIC ACID × 1 CA CALCIUM ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；293 K；Ammonim sulfate, sodium/potassium phosphate, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K	Resolution 3.60 Å R-free 0.295
1V9U Human Rhinovirus 2 bound to a fragment of its cellular receptor protein Deposited 2004-02-03	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 6 Protein heterocomplex Heteromer；Protein × 150 PDB declaration: 150-meric	Chain 1 568–856（289 aa） Chain 2 70–330（261 aa） Chain 3 331–567（237 aa） Chain 4 2–69（68 aa）	Not recorded	DAO LAURIC ACID × 30 CA CALCIUM ION × 30	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；293 K；Ammonim sulfate, sodium/potassium phosphate, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K	Resolution 3.60 Å R-free 0.295
2HRV 2A CYSTEINE PROTEINASE FROM HUMAN RHINOVIRUS 2 Deposited 1999-04-29	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 851–992（142 aa）	Not recorded	ZN ZINC ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions pH 8；pH 8.00	Resolution 1.95 Å R-free 0.250
2HRV 2A CYSTEINE PROTEINASE FROM HUMAN RHINOVIRUS 2 Deposited 1999-04-29	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain B 851–992（142 aa）	Not recorded	ZN ZINC ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions pH 8；pH 8.00	Resolution 1.95 Å R-free 0.250
2XYA Non-covalent inhibtors of rhinovirus 3C protease. Deposited 2010-11-16	Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 1508–1687（180 aa）	Not recorded	7L4 2-PHENYLQUINOLIN-4-OL × 1	X-RAY DIFFRACTION mmCIF provides none of the parsed conditions	Resolution 2.40 Å R-free 0.288
3DPR Human rhinovirus 2 bound to a concatamer of the VLDL receptor module V3 Deposited 2008-07-09	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 300 PDB declaration: 300-MERIC	Chain A 568–856（289 aa） Chain B 70–330（261 aa） Chain C 331–567（237 aa） Chain D 2–69（68 aa）	Not recorded	DAO LAURIC ACID × 60 CA CALCIUM ION × 60	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；298 K；Ammonium sulphate, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K	Resolution 3.50 Å R-free 0.441
3DPR Human rhinovirus 2 bound to a concatamer of the VLDL receptor module V3 Deposited 2008-07-09	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric	Chain A 568–856（289 aa） Chain B 70–330（261 aa） Chain C 331–567（237 aa） Chain D 2–69（68 aa）	Not recorded	DAO LAURIC ACID × 1 CA CALCIUM ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；298 K；Ammonium sulphate, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K	Resolution 3.50 Å R-free 0.441
3DPR Human rhinovirus 2 bound to a concatamer of the VLDL receptor module V3 Deposited 2008-07-09	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 3 Protein heterocomplex Heteromer；Protein × 25 PDB declaration: 25-meric	Chain A 568–856（289 aa） Chain B 70–330（261 aa） Chain C 331–567（237 aa） Chain D 2–69（68 aa）	Not recorded	DAO LAURIC ACID × 5 CA CALCIUM ION × 5	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；298 K；Ammonium sulphate, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K	Resolution 3.50 Å R-free 0.441
3DPR Human rhinovirus 2 bound to a concatamer of the VLDL receptor module V3 Deposited 2008-07-09	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 4 Protein heterocomplex Heteromer；Protein × 30 PDB declaration: 30-meric	Chain A 568–856（289 aa） Chain B 70–330（261 aa） Chain C 331–567（237 aa） Chain D 2–69（68 aa）	Not recorded	DAO LAURIC ACID × 6 CA CALCIUM ION × 6	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；298 K；Ammonium sulphate, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K	Resolution 3.50 Å R-free 0.441
3DPR Human rhinovirus 2 bound to a concatamer of the VLDL receptor module V3 Deposited 2008-07-09	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 5 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric	Chain A 568–856（289 aa） Chain B 70–330（261 aa） Chain C 331–567（237 aa） Chain D 2–69（68 aa）	Not recorded	DAO LAURIC ACID × 1 CA CALCIUM ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；298 K；Ammonium sulphate, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K	Resolution 3.50 Å R-free 0.441
3DPR Human rhinovirus 2 bound to a concatamer of the VLDL receptor module V3 Deposited 2008-07-09	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 6 Protein heterocomplex Heteromer；Protein × 300 PDB declaration: 300-meric	Chain A 568–856（289 aa） Chain B 70–330（261 aa） Chain C 331–567（237 aa） Chain D 2–69（68 aa）	Not recorded	DAO LAURIC ACID × 60 CA CALCIUM ION × 60	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；298 K；Ammonium sulphate, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K	Resolution 3.50 Å R-free 0.441
3TN9 X-ray structure of the HRV2 empty capsid (B-particle) Deposited 2011-09-01	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 180 PDB declaration: 180-MERIC	Chain 1 568–856（289 aa） Chain 2 70–330（261 aa） Chain 3 331–567（237 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；0.1M sodium acetate pH 6.5 - 8.0, 5% glycerol, VAPOR DIFFUSION, HANGING DROP, temperature 293K	Resolution 3.00 Å R-free 0.265
3TN9 X-ray structure of the HRV2 empty capsid (B-particle) Deposited 2011-09-01	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric	Chain 1 568–856（289 aa） Chain 2 70–330（261 aa） Chain 3 331–567（237 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；0.1M sodium acetate pH 6.5 - 8.0, 5% glycerol, VAPOR DIFFUSION, HANGING DROP, temperature 293K	Resolution 3.00 Å R-free 0.265
3TN9 X-ray structure of the HRV2 empty capsid (B-particle) Deposited 2011-09-01	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 3 Protein homooligomer Homooligomer；Protein × 15 PDB declaration: pentadecameric	Chain 1 568–856（289 aa） Chain 2 70–330（261 aa） Chain 3 331–567（237 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；0.1M sodium acetate pH 6.5 - 8.0, 5% glycerol, VAPOR DIFFUSION, HANGING DROP, temperature 293K	Resolution 3.00 Å R-free 0.265
3TN9 X-ray structure of the HRV2 empty capsid (B-particle) Deposited 2011-09-01	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 4 Protein homooligomer Homooligomer；Protein × 18 PDB declaration: octadecameric	Chain 1 568–856（289 aa） Chain 2 70–330（261 aa） Chain 3 331–567（237 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；0.1M sodium acetate pH 6.5 - 8.0, 5% glycerol, VAPOR DIFFUSION, HANGING DROP, temperature 293K	Resolution 3.00 Å R-free 0.265
3TN9 X-ray structure of the HRV2 empty capsid (B-particle) Deposited 2011-09-01	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 5 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric	Chain 1 568–856（289 aa） Chain 2 70–330（261 aa） Chain 3 331–567（237 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；0.1M sodium acetate pH 6.5 - 8.0, 5% glycerol, VAPOR DIFFUSION, HANGING DROP, temperature 293K	Resolution 3.00 Å R-free 0.265
3TN9 X-ray structure of the HRV2 empty capsid (B-particle) Deposited 2011-09-01	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 6 Protein homooligomer Homooligomer；Protein × 45 PDB declaration: 45-meric	Chain 1 568–856（289 aa） Chain 2 70–330（261 aa） Chain 3 331–567（237 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；0.1M sodium acetate pH 6.5 - 8.0, 5% glycerol, VAPOR DIFFUSION, HANGING DROP, temperature 293K	Resolution 3.00 Å R-free 0.265
3VDD Structure of HRV2 capsid complexed with antiviral compound BTA798 Deposited 2012-01-05	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 240 PDB declaration: 240-MERIC	Chain A 568–850（283 aa） Fragment：UNP residues 568-850 Chain B 70–330（261 aa） Fragment：UNP residues 70-330 Chain C 331–567（237 aa） Fragment：UNP residues 331-567 Chain D 1–69（69 aa） Fragment：UNP residues 1-69	Not recorded	BT8 3-ethoxy-6-{2-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]ethoxy}-1,2-benzoxazole × 60	X-RAY DIFFRACTION X-ray crystallization conditions pH 7.5；298 K；0.4-0.7 M ammonium sulfate, pH 7.5, HANGING DROP, temperature 298K	Resolution 3.20 Å R-free 0.273
3VDD Structure of HRV2 capsid complexed with antiviral compound BTA798 Deposited 2012-01-05	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric	Chain A 568–850（283 aa） Fragment：UNP residues 568-850 Chain B 70–330（261 aa） Fragment：UNP residues 70-330 Chain C 331–567（237 aa） Fragment：UNP residues 331-567 Chain D 1–69（69 aa） Fragment：UNP residues 1-69	Not recorded	BT8 3-ethoxy-6-{2-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]ethoxy}-1,2-benzoxazole × 1	X-RAY DIFFRACTION X-ray crystallization conditions pH 7.5；298 K；0.4-0.7 M ammonium sulfate, pH 7.5, HANGING DROP, temperature 298K	Resolution 3.20 Å R-free 0.273
3VDD Structure of HRV2 capsid complexed with antiviral compound BTA798 Deposited 2012-01-05	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 3 Protein homooligomer Homooligomer；Protein × 20 PDB declaration: eicosameric	Chain A 568–850（283 aa） Fragment：UNP residues 568-850 Chain B 70–330（261 aa） Fragment：UNP residues 70-330 Chain C 331–567（237 aa） Fragment：UNP residues 331-567 Chain D 1–69（69 aa） Fragment：UNP residues 1-69	Not recorded	BT8 3-ethoxy-6-{2-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]ethoxy}-1,2-benzoxazole × 5	X-RAY DIFFRACTION X-ray crystallization conditions pH 7.5；298 K；0.4-0.7 M ammonium sulfate, pH 7.5, HANGING DROP, temperature 298K	Resolution 3.20 Å R-free 0.273
3VDD Structure of HRV2 capsid complexed with antiviral compound BTA798 Deposited 2012-01-05	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 4 Protein homooligomer Homooligomer；Protein × 24 PDB declaration: 24-meric	Chain A 568–850（283 aa） Fragment：UNP residues 568-850 Chain B 70–330（261 aa） Fragment：UNP residues 70-330 Chain C 331–567（237 aa） Fragment：UNP residues 331-567 Chain D 1–69（69 aa） Fragment：UNP residues 1-69	Not recorded	BT8 3-ethoxy-6-{2-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]ethoxy}-1,2-benzoxazole × 6	X-RAY DIFFRACTION X-ray crystallization conditions pH 7.5；298 K；0.4-0.7 M ammonium sulfate, pH 7.5, HANGING DROP, temperature 298K	Resolution 3.20 Å R-free 0.273
3VDD Structure of HRV2 capsid complexed with antiviral compound BTA798 Deposited 2012-01-05	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 5 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric	Chain A 568–850（283 aa） Fragment：UNP residues 568-850 Chain B 70–330（261 aa） Fragment：UNP residues 70-330 Chain C 331–567（237 aa） Fragment：UNP residues 331-567 Chain D 1–69（69 aa） Fragment：UNP residues 1-69	Not recorded	BT8 3-ethoxy-6-{2-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]ethoxy}-1,2-benzoxazole × 1	X-RAY DIFFRACTION X-ray crystallization conditions pH 7.5；298 K；0.4-0.7 M ammonium sulfate, pH 7.5, HANGING DROP, temperature 298K	Resolution 3.20 Å R-free 0.273
3VDD Structure of HRV2 capsid complexed with antiviral compound BTA798 Deposited 2012-01-05	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 6 Protein homooligomer Homooligomer；Protein × 120 PDB declaration: 120-meric	Chain A 568–850（283 aa） Fragment：UNP residues 568-850 Chain B 70–330（261 aa） Fragment：UNP residues 70-330 Chain C 331–567（237 aa） Fragment：UNP residues 331-567 Chain D 1–69（69 aa） Fragment：UNP residues 1-69	Not recorded	BT8 3-ethoxy-6-{2-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]ethoxy}-1,2-benzoxazole × 30	X-RAY DIFFRACTION X-ray crystallization conditions pH 7.5；298 K；0.4-0.7 M ammonium sulfate, pH 7.5, HANGING DROP, temperature 298K	Resolution 3.20 Å R-free 0.273
4L3B X-ray structure of the HRV2 A particle uncoating intermediate Deposited 2013-06-05	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 180 PDB declaration: 180-meric	Chain A 568–856（289 aa） Fragment：UNP residues 568-856 Chain B 70–330（261 aa） Fragment：UNP residues 70-330 Chain C 331–567（237 aa） Fragment：UNP residues 331-567	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；0.5 M ammonium sulfate, 1 M sodium/potassium phosphate, 5% glycerol, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K	Resolution 6.50 Å R-free 0.320
4L3B X-ray structure of the HRV2 A particle uncoating intermediate Deposited 2013-06-05	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric	Chain A 568–856（289 aa） Fragment：UNP residues 568-856 Chain B 70–330（261 aa） Fragment：UNP residues 70-330 Chain C 331–567（237 aa） Fragment：UNP residues 331-567	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；0.5 M ammonium sulfate, 1 M sodium/potassium phosphate, 5% glycerol, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K	Resolution 6.50 Å R-free 0.320
4L3B X-ray structure of the HRV2 A particle uncoating intermediate Deposited 2013-06-05	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 3 Protein homooligomer Homooligomer；Protein × 15 PDB declaration: pentadecameric	Chain A 568–856（289 aa） Fragment：UNP residues 568-856 Chain B 70–330（261 aa） Fragment：UNP residues 70-330 Chain C 331–567（237 aa） Fragment：UNP residues 331-567	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；0.5 M ammonium sulfate, 1 M sodium/potassium phosphate, 5% glycerol, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K	Resolution 6.50 Å R-free 0.320
4L3B X-ray structure of the HRV2 A particle uncoating intermediate Deposited 2013-06-05	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 4 Protein homooligomer Homooligomer；Protein × 18 PDB declaration: octadecameric	Chain A 568–856（289 aa） Fragment：UNP residues 568-856 Chain B 70–330（261 aa） Fragment：UNP residues 70-330 Chain C 331–567（237 aa） Fragment：UNP residues 331-567	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；0.5 M ammonium sulfate, 1 M sodium/potassium phosphate, 5% glycerol, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K	Resolution 6.50 Å R-free 0.320
4L3B X-ray structure of the HRV2 A particle uncoating intermediate Deposited 2013-06-05	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 5 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric	Chain A 568–856（289 aa） Fragment：UNP residues 568-856 Chain B 70–330（261 aa） Fragment：UNP residues 70-330 Chain C 331–567（237 aa） Fragment：UNP residues 331-567	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；0.5 M ammonium sulfate, 1 M sodium/potassium phosphate, 5% glycerol, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K	Resolution 6.50 Å R-free 0.320
4L3B X-ray structure of the HRV2 A particle uncoating intermediate Deposited 2013-06-05	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 6 Protein homooligomer Homooligomer；Protein × 45 PDB declaration: 45-meric	Chain A 568–856（289 aa） Fragment：UNP residues 568-856 Chain B 70–330（261 aa） Fragment：UNP residues 70-330 Chain C 331–567（237 aa） Fragment：UNP residues 331-567	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；0.5 M ammonium sulfate, 1 M sodium/potassium phosphate, 5% glycerol, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K	Resolution 6.50 Å R-free 0.320
5FX5 Novel inhibitors of human rhinovirus 3C protease Deposited 2016-02-24	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 1508–1687（180 aa） Fragment：3C PROTEASE, RESIDUES 1508-1687	Not recorded	GOL GLYCEROL × 2 PG4 TETRAETHYLENE GLYCOL × 1 PGE TRIETHYLENE GLYCOL × 1 HOV ethyl (4R)-4-[[(2S,3R)-1-[(2S)-3-methyl-2-[(5-methyl-1,2-oxazol-3-yl)carbonylamino]butanoyl]-3-phenyl-pyrrolidin-2-yl]carbonylamino]-5-[(3S)-2-oxidanylidenepyrrolidin-3-yl]pentanoate × 1	X-RAY DIFFRACTION X-ray crystallization conditions 30% PEG400, 100 MM TRIS-HCL PH 8.5, 200 MM MGCL2	Resolution 1.70 Å R-free 0.211
5FX6 Novel inhibitors of human rhinovirus 3C protease Deposited 2016-02-24	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 1508–1687（180 aa） Fragment：3C PROTEASE, RESIDUES 1508-1687	Not recorded	6OY ethyl (4R)-4-[[(2S,4S)-1-[(2S)-3-methyl-2-[(5-methyl-1,2-oxazol-3-yl)carbonylamino]butanoyl]-4-phenyl-pyrrolidin-2-yl]carbonylamino]-5-[(3S)-2-oxidanylidenepyrrolidin-3-yl]pentanoate × 1	X-RAY DIFFRACTION X-ray crystallization conditions 0.2 M CACL2, 0,1 M TRIS PH 8.5, 25% PEG4000	Resolution 1.45 Å R-free 0.186
6FFN Structure-based design and synthesis of macrocyclic human rhinovirus 3C protease inhibitors Deposited 2018-01-08	Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 1508–1687（180 aa）	Not recorded	D8K ~{N}-[(5~{S},8~{S},11~{S},15~{R})-8-[(4-fluorophenyl)methyl]-5-(hydroxymethyl)-2,7,10,14-tetrakis(oxidanylidene)-1,6,9,13-tetrazabicyclo[13.3.0]octadecan-11-yl]-5-methyl-1,2-oxazole-3-carboxamide × 1 SO4 SULFATE ION × 1 DMS DIMETHYL SULFOXIDE × 1 GOL GLYCEROL × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；2.0 M Ammonium Sulfate 0.1 M Na Acetate, pH 4.5,	Resolution 1.75 Å R-free 0.170
7ARA Rhinovirus A2 2A protease in complex with zVAM.fmk Deposited 2020-10-23	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 851–992（142 aa） Chain B 851–992（142 aa）	Not recorded	S7N (phenylmethyl) ~{N}-[(2~{R})-3-methyl-1-[[(2~{S})-1-[[(3~{S})-1-methylsulfanyl-4-oxidanylidene-pentan-3-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-butan-2-yl]carbamate × 1 ZN ZINC ION × 2 S7Q (phenylmethyl) ~{N}-[(2~{S})-3-methyl-1-[[(2~{R})-1-[[(3~{R})-1-methylsulfanyl-4-oxidanylidene-pentan-3-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-butan-2-yl]carbamate × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；277.15 K；7.5 % PEG8000, 0.3 M KCNS, 5 % 2-methyl-2-butanol, 10 % glycerol, 10 mM b-mercaptoethanol and 50 mM sodium-potassium phosphate buffer pH 8.0	Resolution 2.24 Å R-free 0.257
8AY4 Human rhinovirus 2 virion in situ Deposited 2022-09-01	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 × 240 PDB declaration: 240-meric	Chain A 582–850（269 aa） Chain B 81–330（250 aa） Chain C 331–567（237 aa）	Not recorded	No recorded non-water small molecule	ELECTRON MICROSCOPY cryo-EM buffer pH 7.4 cryo-EM vitrification conditions Cryogen ETHANE	Resolution 4.70 Å
8AY5 Human rhinovirus 2 empty particle in situ Deposited 2022-09-01	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 × 180 PDB declaration: 180-meric	Chain A 600–850（251 aa） Chain B 81–330（250 aa） Chain C 331–567（237 aa）	Not recorded	No recorded non-water small molecule	ELECTRON MICROSCOPY cryo-EM buffer pH 7.4 cryo-EM vitrification conditions Cryogen ETHANE	Resolution 7.10 Å
9G0B Rhinovirus A2 uncoating intermediate revealing the natural pocket factor (pH 5.8 and 4 degrees Celsius) Deposited 2024-07-07	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 240 PDB declaration: 240-meric	Chain A 568–850（283 aa） Chain B 70–330（261 aa） Chain C 331–567（237 aa） Chain D 2–69（68 aa）	Not recorded	DAO LAURIC ACID × 60	ELECTRON MICROSCOPY cryo-EM buffer pH 5.8；0.1 M phosphate buffer, pH 5.8 cryo-EM vitrification conditions Cryogen ETHANE	Resolution 3.20 Å

17 other PDB entries and 48 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence

UniProt name	POLG_HRV2
Isoform	—
PDB entities	1
Chains and sequence ranges	Author chain A； PDBConstruct 3–182； UniProt 1508–1687

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

P(r) Distance Distribution P(r) Distribution

Download Download SAXS (.dat) P(r) (.pr.out) CIF

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2. Structure Basics 2. Structure Basics

Entry ID entry_id	6ffs
Deposition date deposition_date	2018-01-09
Structure title title	Structure-based design and synthesis of macrocyclic human rhinovirus 3C protease inhibitors
Keywords keywords	3C Protease, Rhinovirus, Inhibitor, HYDROLASE; HYDROLASE
Experimental Method method	X-RAY DIFFRACTION

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3. SAXS Parameters (CRYSOL theoretical calculation) 3. SAXS Parameters (CRYSOL)

Radius of gyration Rg (Guinier) rg_guinier	16.65 Å
Radius of gyration Rg (electron density) rg_electron	15.19 Å
Forward intensity I(0) i0	8096110.00
Molecular weight molecular_weight	20731.0 kDa
Excluded volume excluded_volume	25924 Å³
Envelope volume envelope_volume	28652 Å³
Hydration-shell volume shell_volume	15495 Å³
Envelope diameter envelope_diameter	50.6 Å
Shell Rg shell_rg	21.60 Å
Envelope Rg envelope_rg	15.52 Å
Shape Rg shape_rg	15.17 Å
Total Rg total_rg	16.39 Å
Total atoms total_atoms	1458
Residues n_residues	181
Spherical-harmonic order n_harmonics	20
q range q_range	— – 0.5000 Å⁻¹
Data points n_points	101
Shell type shell_type	directional
Solvent electron density solvent_density	0.3340 e/Å³
Shell contrast contrast_shell	0.0300 e/Å³
CRYSOL version crysol_version	4.1.3

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4. P(r) Distance Distribution (GNOM inversion) 4. P(r) Analysis (GNOM)

Maximum dimension Dmax dmax	52.4 Å
Rg (real space) rg_real	16.49 Å
Rg uncertainty (real space) rg_real_error	0.30 Å
I(0) (real space) i0_real	8.0960e+06
I(0) uncertainty (real space) i0_real_error	9.8030e+04
Rg (reciprocal space) rg_reciprocal	16.51 Å
I(0) (reciprocal space) i0_reciprocal	8096000.0000
Solution quality estimate total_estimate	0.7638
Solution quality rating solution_quality	GOOD a GOOD solution
P(r) peaks n_peaks	1
Primary peak position r_peak_primary	22.5 Å
Skewness Skewness skewness	0.041
Kurtosis Kurtosis kurtosis	-0.454
Angular range angular_range	— – 0.4800 Å⁻¹
Current regularization parameter α current_alpha	0.0000
Highest regularization parameter α highest_alpha	2564000.0000
Real-space data points n_real_points	78
GNOM version gnom_version	4.1.3
Quality Criteria quality_criteria	AN1: 0.000; Oscil: 0.844; Stabil: 1.000; Sysdev: 0.471; Positv: 1.000; Valcen: 0.982; Smooth: 1.000

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5. Crystallography and Experiment 5. Crystallography & Experiment

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6. Entities and Polymers Entities & Polymers (4)

Entity 1 Entity 1 polymer

Description description	3C Protease
Molecular weight formula_weight	20125.8 kDa
EC 编号 ec_number	3.4.22.29,3.6.1.15,3.4.22.28
Source method src_method	man
Copy count entity_count	1

Polymer Polymer

Polymer type type	polypeptide(L)
Chain IDs strand_id	A
Atom count atom_count	1718

GSGPEEEFGMSLIKHNSCVITTENGKFTGLGVYDRFVVVPTHADPGKEIQVDGITTKVIDSYDLYNKNGIKLEITVLKLDRNEKFRDIRRYIPNNEDDYPNCNLALLANQPEPTIINVGDVVSYGNILLSGNQTARMLKYSYPTKSGYCGGVLYKIGQVLGIHVGGNGRDGFSAMLLRSYFT

来源 Source

来源生物 organism	Human rhinovirus 2
通用名 common_name	HRV-2
NCBI Class编号 ncbi_taxonomy_id	12130
宿主生物 host_organism	Escherichia coli

Entity 2 Entity 2 non-polymer

Description description	;~{N}-[(2~{S},5~{S},14~{S})-2-[(4-fluorophenyl)methyl]-5-(hydroxymethyl)-9-methyl-3,8,15-tris(oxidanylidene)-1,4,9-triazacyclopentadec-14-yl]-5-methyl-1,2-oxazole-3-carboxamide ;
Molecular weight formula_weight	531.6 kDa
Source method src_method	syn
Copy count entity_count	1

Entity 3 Entity 3 non-polymer

Description description	SULFATE ION
Molecular weight formula_weight	96.1 kDa
Source method src_method	syn
Copy count entity_count	1

Entity 4 Entity 4 water

Description description	water
Molecular weight formula_weight	18.0 kDa
Source method src_method	nat
Copy count entity_count	222

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7. Fold Classification (SCOP + CATH) 4 domains

SCOP 2.08 (2 domains)

Domain ID domain_id	d6ffsa1
Class class	b — All beta proteins
Fold Fold fold	b.47 — Trypsin-like serine proteases
Superfamily Superfamily superfamily	b.47.1 — Trypsin-like serine proteases
Family Family family	b.47.1.4 — Viral cysteine protease of trypsin fold

Domain ID domain_id	d6ffsa2
Class class	l — Artifacts
Fold Fold fold	l.1 — Tags
Superfamily Superfamily superfamily	l.1.1 — Tags
Family Family family	l.1.1.1 — Tags

CATH v4.4 (2 domains)

Domain ID domain_id	6ffsA01
Class class	2 — Mainly Beta
Architecture architecture	40 — Beta Barrel
Topology topology	10 — Thrombin, subunit H
Homologous superfamily homologous superfamily	10 — Trypsin-like serine proteases

Domain ID domain_id	6ffsA02
Class class	2 — Mainly Beta
Architecture architecture	40 — Beta Barrel
Topology topology	10 — Thrombin, subunit H
Homologous superfamily homologous superfamily	10 — Trypsin-like serine proteases

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8. Citations (1)

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Unit-cell length a length_a	77.657 Å
Unit-cell length b length_b	77.657 Å
Unit-cell length c length_c	87.855 Å
Unit-cell angle α angle_alpha	90.00 °
Unit-cell angle β angle_beta	90.00 °
Unit-cell angle γ angle_gamma	120.00 °
Molecules per unit cell Z z_pdb	6

Space group space_group	P 32 2 1
Space-group number int_tables_number	154
Crystal system crystal_system	—

Resolution resolution	1.860 Å
Low-resolution limit resolution_low	20.000 Å
R factor r_factor	0.1496
R_work r_work	0.1484
R_free r_free	0.1719

fit	/app/data/saxs_computation/ff/6ffs/6ffs.fit
pddf	/app/data/pr_computation/ff/6ffs/6ffs.pr.out
profile	/app/data/saxs_computation/ff/6ffs/6ffs.dat