3bgo

Azide complex of Engineered Subtilisin SUBT_BACAM

Method: X-RAY DIFFRACTION D_max: 69.5 Å Quality: GOOD

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

;Subtilisin BPN' ;

Bacillus amyloliquefaciens

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 homooligomer Homooligomer Protein × 2 PDB declaration: dimeric（2） Consistent with protein copy count	Chain P； UniProt 32–106 Chain S； UniProt 108–382	Fragment：Prodomain Mutation：K27E, V37L, Q40C, K57E, H72K, V73L, A74Y, H75R, Y77L Fragment：Enzyme domain Mutation：;Q2K, S3C, P5S, S9A, I31L, D32A, K43N, M50F, A73L, Y104A, G128S, E156S, G166S, G169A, S188P, Q206C, N212G, K217L, N218S, S221A, T254A, Q271E ;	AZI AZIDE ION × 1 ZN ZINC ION × 4	X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；l8% PEG 8K, 0.2 M ZnAc, 0.1 M Na Cacodylate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K	Resolution 1.80 Å R-free 0.262
2	Protein homooligomer Homooligomer Protein × 2 PDB declaration: dimeric（2） Consistent with protein copy count	Chain P； UniProt 32–106 Chain S； UniProt 108–382	Fragment：Prodomain Mutation：K27E, V37L, Q40C, K57E, H72K, V73L, A74Y, H75R, Y77L Fragment：Enzyme domain Mutation：;Q2K, S3C, P5S, S9A, I31L, D32A, K43N, M50F, A73L, Y104A, G128S, E156S, G166S, G169A, S188P, Q206C, N212G, K217L, N218S, S221A, T254A, Q271E ;	AZI AZIDE ION × 1 ZN ZINC ION × 4	X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；l8% PEG 8K, 0.2 M ZnAc, 0.1 M Na Cacodylate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K	Resolution 1.80 Å R-free 0.262

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 3BGO	Assembly / Oligomeric State	Construct	Mutations and Modifications	Ligands, Ions and Non-polymers	Method and Experimental Conditions	Structure Quality
1A2Q SUBTILISIN BPN' MUTANT 7186 Deposited 1998-01-08	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 108–382（275 aa）	Mutation：T22C, S87C, G169A, N218S Non-standard monomer：Yes (specific site not provided by mmCIF)	CA CALCIUM ION × 2 ACN ACETONE × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION；pH 6.5；CRYSTAL WERE GROWN BY VAPOR DIFFUSION OF 10 MG/ML PROTEIN IN 50 MM MES PH 6.5, 25 MM CACL2 AGAINST 55% ACETONE., vapor diffusion	Resolution 1.80 Å
1AK9 SUBTILISIN MUTANT 8321 Deposited 1997-05-30	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 108–382（275 aa）	Mutation：T22C, M50F, S87C, G169A, Y217K, N218S	CA CALCIUM ION × 2 NA SODIUM ION × 1 IPA ISOPROPYL ALCOHOL × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION；pH 9；CRYSTAL WERE GROWN BY VAPOR DIFFUSION OF 10 MG/ML PROTEIN IN 50 MM GLYCINE PH 9.0 (1 MM EDTA, 25 MM CACL2 OF 50 MM KCL) AGAINST 2-PROPANOL OR ACETONE., vapor diffusion	Resolution 1.80 Å
1AQN SUBTILISIN MUTANT 8324 Deposited 1997-07-31	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 108–382（275 aa）	Mutation：T22C, M50F, S87C, G169A, Q206C, Y217K, N218S	CA CALCIUM ION × 2 UNX UNKNOWN LIGAND × 2 IPA ISOPROPYL ALCOHOL × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION；pH 8.7；CRYSTAL WERE GROWN BY VAPOR DIFFUSION OF 10 MG/ML PROTEIN IN 100 MM TRIS-HCL PH 8.7, 40 MM CACL2 AGAINST 20% 2-PROPANOL., vapor diffusion	Resolution 1.80 Å
1AU9 SUBTILISIN BPN' MUTANT 8324 IN CITRATE Deposited 1997-09-12	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 108–382（275 aa）	Mutation：T22C, M50F, S87C, G169A, Q206C, Y217K, N218S	CA CALCIUM ION × 2 UNX UNKNOWN LIGAND × 2 IPA ISOPROPYL ALCOHOL × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION；pH 9；CRYSTAL WERE GROWN BY VAPOR DIFFUSION OF 10 MG/ML PROTEIN IN 50 MM GLYCINE PH 9.0, 10 MM CITRATE AGAINST 10% 2-PROPANOL., vapor diffusion	Resolution 1.80 Å
1DUI Subtilisin BPN' from Bacillus amyloliquefaciens, crystal growth mutant Deposited 2000-01-17	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 108–382（275 aa） Fragment：ENZYME	Mutation：Q2K, S3C, P5S, K43N, M50F, A73L, Q206C, Y217K, N218S, D259N, DELETION (75-83)	NA SODIUM ION × 1 DFP DIISOPROPYL PHOSPHONATE × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4.6；297 K；22% PEG4000, 100mM NaAc, 100 mM AmSO4, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 297K	Resolution 2.00 Å R-free 0.283
1GNS SUBTILISIN BPN' Deposited 2001-10-06	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 111–181（71 aa） Fragment：RESIDUES 111-181,191-382 Chain A 191–382（192 aa） Fragment：RESIDUES 111-181,191-382	Mutation：YES Non-standard monomer：Yes (specific site not provided by mmCIF) Mutation：YES Non-standard monomer：Yes (specific site not provided by mmCIF)	ACN ACETONE × 1	X-RAY DIFFRACTION X-ray crystallization conditions pH 7.5；55% ACETONE, 0.05M GLYCINE PH 9.0	Resolution 1.80 Å
1GNV CALCIUM INDEPENDENT SUBTILISIN BPN' MUTANT Deposited 2001-10-10	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 102–175（74 aa） Chain A 185–376（192 aa）	Mutation：YES Non-standard monomer：Yes (specific site not provided by mmCIF) Mutation：YES 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；23% PEG 4K, O.2M AMMONIUM SULFATE, pH 7.50	Resolution 1.90 Å
1LW6 Crystal Structure of the Complex of Subtilisin BPN' with Chymotrypsin Inhibitor 2 at 1.5 Angstrom Resolution Deposited 2002-05-30	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain E 108–382（275 aa）	Not recorded	CA CALCIUM ION × 1 SO4 SULFATE ION × 4	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；277 K；PEG 8000, ammonium sulfate, sodium cacodylate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K	Resolution 1.50 Å R-free 0.188
1S01 LARGE INCREASES IN GENERAL STABILITY FOR SUBTILISIN BPN(PRIME) THROUGH INCREMENTAL CHANGES IN THE FREE ENERGY OF UNFOLDING Deposited 1989-08-21	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 108–382（275 aa）	Non-standard monomer：Yes (specific site not provided by mmCIF)	CA CALCIUM ION × 1 IPA ISOPROPYL ALCOHOL × 2	X-RAY DIFFRACTION mmCIF provides none of the parsed conditions	Resolution 1.70 Å
1S02 EFFECTS OF ENGINEERED SALT BRIDGES ON THE STABILITY OF SUBTILISIN BPN' Deposited 1991-02-20	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 108–382（275 aa）	Not recorded	CA CALCIUM ION × 2 SO4 SULFATE ION × 1	X-RAY DIFFRACTION mmCIF provides none of the parsed conditions	Resolution 1.90 Å
1SBH SUBTILISIN BPN' 8397+1 (E.C. 3.4.21.14) MUTANT (M50F, N76D, G169A, Q206C, N218S, K256Y) Deposited 1995-09-01	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 108–382（275 aa）	Mutation：M50F, N76D, G169A, Q206C, N218S, K256Y Non-standard monomer：Yes (specific site not provided by mmCIF)	CA CALCIUM ION × 2	X-RAY DIFFRACTION mmCIF provides none of the parsed conditions	Resolution 1.80 Å R-free 0.192
1SBI SUBTILISIN BPN' 8397 (E.C. 3.4.21.14) MUTANT (M50F, N76D, G169A, Q206C, N218S) Deposited 1995-09-01	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 108–382（275 aa）	Mutation：M50F, N76D, G169A, Q206C, N218S Non-standard monomer：Yes (specific site not provided by mmCIF)	CA CALCIUM ION × 1	X-RAY DIFFRACTION mmCIF provides none of the parsed conditions	Resolution 2.20 Å R-free 0.163
1SBN REFINED CRYSTAL STRUCTURES OF SUBTILISIN NOVO IN COMPLEX WITH WILD-TYPE AND TWO MUTANT EGLINS. COMPARISON WITH OTHER SERINE PROTEINASE INHIBITOR COMPLEXES Deposited 1991-12-20	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain E 108–382（275 aa）	Not recorded	CA CALCIUM ION × 2	X-RAY DIFFRACTION mmCIF provides none of the parsed conditions	Resolution 2.10 Å
1SBT ATOMIC COORDINATES FOR SUBTILISIN BPN (OR NOVO) Deposited 1972-08-11	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 108–382（275 aa）	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION mmCIF provides none of the parsed conditions	Resolution 2.50 Å
1SIB REFINED CRYSTAL STRUCTURES OF SUBTILISIN NOVO IN COMPLEX WITH WILD-TYPE AND TWO MUTANT EGLINS. COMPARISON WITH OTHER SERINE PROTEINASE INHIBITOR COMPLEXES Deposited 1993-08-02	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain E 108–382（275 aa）	Not recorded	CA CALCIUM ION × 2	X-RAY DIFFRACTION mmCIF provides none of the parsed conditions	Resolution 2.40 Å
1SPB SUBTILISIN BPN' PROSEGMENT (77 RESIDUES) COMPLEXED WITH A MUTANT SUBTILISIN BPN' (266 RESIDUES). CRYSTAL PH 4.6. CRYSTALLIZATION TEMPERATURE 20 C DIFFRACTION TEMPERATURE-160 C Deposited 1995-06-21	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain P 37–107（71 aa） Chain S 108–382（275 aa）	Mutation：D32N, K43N, M50F, A73L, DEL(75-83), Q206V, Y217K, N218S, S221A	NA SODIUM ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions pH 4.6；pH 4.6	Resolution 2.00 Å
1ST2 THE THREE-DIMENSIONAL STRUCTURE OF BACILLUS AMYLOLIQUEFACIENS SUBTILISIN AT 1.8 ANGSTROMS AND AN ANALYSIS OF THE STRUCTURAL CONSEQUENCES OF PEROXIDE INACTIVATION Deposited 1990-03-21	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 108–382（275 aa）	Non-standard monomer：Yes (specific site not provided by mmCIF)	CA CALCIUM ION × 2 SO4 SULFATE ION × 1	X-RAY DIFFRACTION mmCIF provides none of the parsed conditions	Resolution 2.00 Å
1SUA SUBTILISIN BPN' Deposited 1997-01-14	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain A 108–382（275 aa）	Mutation：DEL(75-83), K43N, M50F, G73A, Q206V, Y217K, N218S, S221A, Q271E	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions pH 7.5；1.25M LI2SO4 0.1M HEPES/HCL PH7.5	Resolution 2.10 Å
1SUB CALCIUM-INDEPENDENT SUBTILISIN BY DESIGN Deposited 1992-06-10	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 108–382（275 aa）	Mutation：N218S, SER221CSD Non-standard monomer：Yes (specific site not provided by mmCIF)	CA CALCIUM ION × 1 K POTASSIUM ION × 1 ACN ACETONE × 1	X-RAY DIFFRACTION mmCIF provides none of the parsed conditions	Resolution 1.75 Å
1SUC CALCIUM-INDEPENDENT SUBTILISIN BY DESIGN Deposited 1992-06-10	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 108–382（275 aa）	Mutation：M50P,Y217K, N218S,SER221CSD Non-standard monomer：Yes (specific site not provided by mmCIF)	K POTASSIUM ION × 1 ACN ACETONE × 1	X-RAY DIFFRACTION mmCIF provides none of the parsed conditions	Resolution 1.80 Å
1SUD CALCIUM-INDEPENDENT SUBTILISIN BY DESIGN Deposited 1992-06-10	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 108–382（275 aa）	Mutation：M50P,Y217K, N218S,SER221CSD Non-standard monomer：Yes (specific site not provided by mmCIF)	CA CALCIUM ION × 2 K POTASSIUM ION × 1 ACN ACETONE × 1	X-RAY DIFFRACTION mmCIF provides none of the parsed conditions	Resolution 1.90 Å
1SUE SUBTILISIN BPN' FROM BACILLUS AMYLOLIQUEFACIENS, MUTANT Deposited 1998-02-17	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 108–382（275 aa）	Mutation：Q2K, S3C, P5S, K43N, M50F, A73L, Q206C, Y217K, N218S, DEL (75-83)	NA SODIUM ION × 1 DFP DIISOPROPYL PHOSPHONATE × 1	X-RAY DIFFRACTION X-ray crystallization conditions pH 4.6；22% PEG 4K, 100 MM SODIUM ACETATE PH 4.6, 100 MM AMMONIUM SULFATE	Resolution 1.80 Å
1SUP SUBTILISIN BPN' AT 1.6 ANGSTROMS RESOLUTION: ANALYSIS OF DISCRETE DISORDER AND COMPARISON OF CRYSTAL FORMS Deposited 1995-08-14	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 108–382（275 aa）	Not recorded	CA CALCIUM ION × 1 NA SODIUM ION × 1 PMS phenylmethanesulfonic acid × 1	X-RAY DIFFRACTION mmCIF provides none of the parsed conditions	Resolution 1.60 Å
1TM1 CRYSTAL STRUCTURE OF THE COMPLEX OF SUBTILISIN BPN' WITH CHYMOTRYPSIN INHIBITOR 2 Deposited 2004-06-10	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain E 108–382（275 aa）	Not recorded	CA CALCIUM ION × 1 NA SODIUM ION × 1 CIT CITRIC ACID × 3 1PE PENTAETHYLENE GLYCOL × 4	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4.6；277 K；sodium citrate, isopropanol, PEG 4000, xylitol, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 277K	Resolution 1.70 Å R-free 0.182
1TM1 CRYSTAL STRUCTURE OF THE COMPLEX OF SUBTILISIN BPN' WITH CHYMOTRYPSIN INHIBITOR 2 Deposited 2004-06-10	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric	Chain E 108–382（275 aa）	Not recorded	CA CALCIUM ION × 2 NA SODIUM ION × 2 CIT CITRIC ACID × 6 1PE PENTAETHYLENE GLYCOL × 8	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4.6；277 K；sodium citrate, isopropanol, PEG 4000, xylitol, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 277K	Resolution 1.70 Å R-free 0.182
1TM3 crystal structure of the complex of subtilisin BPN' with chymotrypsin inhibitor 2 M59k mutant Deposited 2004-06-10	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain E 108–382（275 aa）	Mutation：C-terminal 6-His tag	CA CALCIUM ION × 1 NA SODIUM ION × 1 CIT CITRIC ACID × 2 1PE PENTAETHYLENE GLYCOL × 3	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4.6；277 K；sodium citrate, isopropanol, PEG 4000, xylitol, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 277K	Resolution 1.57 Å R-free 0.184
1TM3 crystal structure of the complex of subtilisin BPN' with chymotrypsin inhibitor 2 M59k mutant Deposited 2004-06-10	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric	Chain E 108–382（275 aa）	Mutation：C-terminal 6-His tag	CA CALCIUM ION × 2 NA SODIUM ION × 2 CIT CITRIC ACID × 4 1PE PENTAETHYLENE GLYCOL × 6	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4.6；277 K；sodium citrate, isopropanol, PEG 4000, xylitol, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 277K	Resolution 1.57 Å R-free 0.184
1TM4 crystal structure of the complex of subtilsin BPN'with chymotrypsin inhibitor 2 M59G mutant Deposited 2004-06-10	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain E 108–382（275 aa）	Mutation：C-terminal 6-His tag	CA CALCIUM ION × 1 NA SODIUM ION × 1 CIT CITRIC ACID × 2 1PE PENTAETHYLENE GLYCOL × 3	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4.6；277 K；sodium citrate, isopropanol, PEG 400, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 277K	Resolution 1.70 Å R-free 0.183
1TM4 crystal structure of the complex of subtilsin BPN'with chymotrypsin inhibitor 2 M59G mutant Deposited 2004-06-10	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric	Chain E 108–382（275 aa）	Mutation：C-terminal 6-His tag	CA CALCIUM ION × 2 NA SODIUM ION × 2 CIT CITRIC ACID × 4 1PE PENTAETHYLENE GLYCOL × 6	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4.6；277 K；sodium citrate, isopropanol, PEG 400, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 277K	Resolution 1.70 Å R-free 0.183
1TM5 crystal structure of the complex of subtilisin BPN' with chymotrypsin inhibitor 2 M59A mutant Deposited 2004-06-10	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain E 108–382（275 aa）	Mutation：C-terminal 6-His tag	CA CALCIUM ION × 1 NA SODIUM ION × 1 CIT CITRIC ACID × 3 1PE PENTAETHYLENE GLYCOL × 3	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4.6；277 K；sodium citrate, isopropanol, PEG monomethyl ether 750, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 277K	Resolution 1.45 Å R-free 0.179
1TM5 crystal structure of the complex of subtilisin BPN' with chymotrypsin inhibitor 2 M59A mutant Deposited 2004-06-10	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric	Chain E 108–382（275 aa）	Mutation：C-terminal 6-His tag	CA CALCIUM ION × 2 NA SODIUM ION × 2 CIT CITRIC ACID × 6 1PE PENTAETHYLENE GLYCOL × 6	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4.6；277 K；sodium citrate, isopropanol, PEG monomethyl ether 750, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 277K	Resolution 1.45 Å R-free 0.179
1TM7 crystal structure of the complex of subtilisin BPN' with chymotrypsin inhibitor 2 M59Y mutant Deposited 2004-06-10	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain E 108–382（275 aa）	Mutation：C-terminal 6-His tag	CA CALCIUM ION × 1 NA SODIUM ION × 1 CIT CITRIC ACID × 3 1PE PENTAETHYLENE GLYCOL × 4	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4.6；277 K；sodium citrate, isopropanol, PEG 750 monomethyl ether, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 277K	Resolution 1.59 Å R-free 0.175
1TM7 crystal structure of the complex of subtilisin BPN' with chymotrypsin inhibitor 2 M59Y mutant Deposited 2004-06-10	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric	Chain E 108–382（275 aa）	Mutation：C-terminal 6-His tag	CA CALCIUM ION × 2 NA SODIUM ION × 2 CIT CITRIC ACID × 6 1PE PENTAETHYLENE GLYCOL × 8	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4.6；277 K；sodium citrate, isopropanol, PEG 750 monomethyl ether, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 277K	Resolution 1.59 Å R-free 0.175
1TM7 crystal structure of the complex of subtilisin BPN' with chymotrypsin inhibitor 2 M59Y mutant Deposited 2004-06-10	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 3 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric	Chain E 108–382（275 aa）	Mutation：C-terminal 6-His tag	CA CALCIUM ION × 2 NA SODIUM ION × 2 CIT CITRIC ACID × 6 1PE PENTAETHYLENE GLYCOL × 8	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4.6；277 K；sodium citrate, isopropanol, PEG 750 monomethyl ether, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 277K	Resolution 1.59 Å R-free 0.175
1TMG crystal structure of the complex of subtilisin BPN' with chymotrypsin inhibitor 2 M59F mutant Deposited 2004-06-10	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain E 108–382（275 aa）	Mutation：C-terminal, 6-His tag	CA CALCIUM ION × 1 NA SODIUM ION × 1 CIT CITRIC ACID × 3 1PE PENTAETHYLENE GLYCOL × 4 15P POLYETHYLENE GLYCOL (N=34) × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4.6；277 K；sodium citrate, isopropanol, PEG 400, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 277K	Resolution 1.67 Å R-free 0.174
1TO1 crystal structure of the complex of subtilisin BPN' with chymotrypsin inhibitor 2 Y61A mutant Deposited 2004-06-11	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain E 108–382（275 aa）	Mutation：C-terminal 6-His tag	CA CALCIUM ION × 1 NA SODIUM ION × 1 CIT CITRIC ACID × 2 1PE PENTAETHYLENE GLYCOL × 4	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4.6；277 K；sodium citrate, isopropanol, PEG 400, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 277K	Resolution 1.68 Å R-free 0.182
1TO2 crystal structure of the complex of subtilisin BPN' with chymotrypsin inhibitor 2 M59K, in pH 9 cryosoak Deposited 2004-06-11	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain E 108–382（275 aa）	Mutation：C-terminal 6-His tag	CA CALCIUM ION × 1 NA SODIUM ION × 1 CIT CITRIC ACID × 2 15P POLYETHYLENE GLYCOL (N=34) × 3	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 9；277 K；sodium citrate, isopropanol, PEG 4000, xylitol, pH 9.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K	Resolution 1.30 Å R-free 0.183
1UBN SELENOSUBTILISIN BPN Deposited 1999-06-02	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 108–382（275 aa）	Non-standard monomer：Yes (specific site not provided by mmCIF)	CA CALCIUM ION × 2	X-RAY DIFFRACTION X-ray crystallization conditions pH 7；pH 7.0	Resolution 2.40 Å
1V5I Crystal structure of serine protease inhibitor POIA1 in complex with subtilisin BPN' Deposited 2003-11-24	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain A 108–382（275 aa）	Mutation：S221C Non-standard monomer：Yes (specific site not provided by mmCIF)	SO4 SULFATE ION × 2 CA CALCIUM ION × 1 GOL GLYCEROL × 16	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；HEPES, lithium sulfate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K	Resolution 1.50 Å R-free 0.192
1Y1K Crystal structure of the complex of subtilisin BPN' with chymotrypsin inhibitor 2 T58A mutant Deposited 2004-11-18	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain E 108–382（275 aa）	Mutation：C-terminal 6-His tag	CA CALCIUM ION × 1 NA SODIUM ION × 1 CIT CITRIC ACID × 3 15P POLYETHYLENE GLYCOL (N=34) × 3	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4.6；277 K；sodium citrate, isopropanol, PEG 2000, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 277K	Resolution 1.56 Å R-free 0.185
1Y33 Crystal structure of the complex of subtilisin BPN' with chymotrypsin inhibitor 2 T58P mutant Deposited 2004-11-23	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain E 108–382（275 aa）	Mutation：C-terminal 6-His tag	CA CALCIUM ION × 1 NA SODIUM ION × 1 CIT CITRIC ACID × 3 15P POLYETHYLENE GLYCOL (N=34) × 3	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4.6；277 K；sodium citrate, isopropanol, PEG 2000, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 277K	Resolution 1.80 Å R-free 0.179
1Y34 Crystal structure of the complex of subtilisin BPN' with chymotrypsin inhibitor 2 E60A mutant Deposited 2004-11-23	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain E 108–382（275 aa）	Mutation：C-terminal 6-His tag	CA CALCIUM ION × 1 NA SODIUM ION × 1 CIT CITRIC ACID × 3 15P POLYETHYLENE GLYCOL (N=34) × 4	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4.6；277 K；sodium citrate, isopropanol, PEG monomethyl ether 750, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 277K	Resolution 1.55 Å R-free 0.180
1Y34 Crystal structure of the complex of subtilisin BPN' with chymotrypsin inhibitor 2 E60A mutant Deposited 2004-11-23	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric	Chain E 108–382（275 aa）	Mutation：C-terminal 6-His tag	CA CALCIUM ION × 2 NA SODIUM ION × 2 CIT CITRIC ACID × 6 15P POLYETHYLENE GLYCOL (N=34) × 8	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4.6；277 K；sodium citrate, isopropanol, PEG monomethyl ether 750, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 277K	Resolution 1.55 Å R-free 0.180
1Y3B Crystal structure of the complex of subtilisin BPN' with chymotrypsin inhibitor 2 E60S mutant Deposited 2004-11-24	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain E 108–382（275 aa）	Mutation：C-terminal 6-His tag	CA CALCIUM ION × 1 NA SODIUM ION × 1 CIT CITRIC ACID × 3 15P POLYETHYLENE GLYCOL (N=34) × 3	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4.6；277 K；sodium citrate, isopropanol, PEG 4000, 4% acetone, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 277K	Resolution 1.80 Å R-free 0.178
1Y3B Crystal structure of the complex of subtilisin BPN' with chymotrypsin inhibitor 2 E60S mutant Deposited 2004-11-24	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric	Chain E 108–382（275 aa）	Mutation：C-terminal 6-His tag	CA CALCIUM ION × 2 NA SODIUM ION × 2 CIT CITRIC ACID × 6 15P POLYETHYLENE GLYCOL (N=34) × 6	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4.6；277 K；sodium citrate, isopropanol, PEG 4000, 4% acetone, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 277K	Resolution 1.80 Å R-free 0.178
1Y3C Crystal structure of the complex of subtilisin BPN' with chymotrypsin inhibitor 2 R62A mutant Deposited 2004-11-24	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain E 108–382（275 aa）	Mutation：C-terminal 6-His tag	CA CALCIUM ION × 1 NA SODIUM ION × 1 CIT CITRIC ACID × 3 15P POLYETHYLENE GLYCOL (N=34) × 4	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4.6；277 K；sodium citrate, isopropanol, PEG 4000, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 277K	Resolution 1.69 Å R-free 0.178
1Y3C Crystal structure of the complex of subtilisin BPN' with chymotrypsin inhibitor 2 R62A mutant Deposited 2004-11-24	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric	Chain E 108–382（275 aa）	Mutation：C-terminal 6-His tag	CA CALCIUM ION × 2 NA SODIUM ION × 2 CIT CITRIC ACID × 6 15P POLYETHYLENE GLYCOL (N=34) × 8	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4.6；277 K；sodium citrate, isopropanol, PEG 4000, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 277K	Resolution 1.69 Å R-free 0.178
1Y3D Crystal structure of the complex of subtilisin BPN' with chymotrypsin inhibitor 2 R67A mutant Deposited 2004-11-24	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain E 108–382（275 aa）	Mutation：C-terminal 6-His tag	CA CALCIUM ION × 1 NA SODIUM ION × 1 CIT CITRIC ACID × 3 15P POLYETHYLENE GLYCOL (N=34) × 4	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4.6；277 K；sodium citrate, isopropanol, PEG monomethyl ether 750, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 277K	Resolution 1.80 Å R-free 0.173
1Y3D Crystal structure of the complex of subtilisin BPN' with chymotrypsin inhibitor 2 R67A mutant Deposited 2004-11-24	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric	Chain E 108–382（275 aa）	Mutation：C-terminal 6-His tag	CA CALCIUM ION × 2 NA SODIUM ION × 2 CIT CITRIC ACID × 6 15P POLYETHYLENE GLYCOL (N=34) × 8	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4.6；277 K；sodium citrate, isopropanol, PEG monomethyl ether 750, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 277K	Resolution 1.80 Å R-free 0.173
1Y3F Crystal structure of the complex of subtilisin BPN' with chymotrypsin inhibitor 2 F69A mutant Deposited 2004-11-24	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain E 108–382（275 aa）	Mutation：C-terminal 6-His tag	CA CALCIUM ION × 1 NA SODIUM ION × 1 CIT CITRIC ACID × 3 15P POLYETHYLENE GLYCOL (N=34) × 3	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4.6；277 K；sodium citrate, isopropanol, PEG 4000, 3% xylitol, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 277K	Resolution 1.72 Å R-free 0.190
1Y3F Crystal structure of the complex of subtilisin BPN' with chymotrypsin inhibitor 2 F69A mutant Deposited 2004-11-24	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric	Chain E 108–382（275 aa）	Mutation：C-terminal 6-His tag	CA CALCIUM ION × 2 NA SODIUM ION × 2 CIT CITRIC ACID × 6 15P POLYETHYLENE GLYCOL (N=34) × 6	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4.6；277 K；sodium citrate, isopropanol, PEG 4000, 3% xylitol, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 277K	Resolution 1.72 Å R-free 0.190
1Y48 Crystal structure of the complex of subtilisin BPN' with chymotrypsin inhibitor 2 R65A mutant Deposited 2004-11-30	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain E 108–382（275 aa）	Mutation：C-terminal 6-His tag	CA CALCIUM ION × 1 NA SODIUM ION × 1 CIT CITRIC ACID × 3 15P POLYETHYLENE GLYCOL (N=34) × 3	X-RAY DIFFRACTION X-ray crystallization conditions vapor diffusion, hanging drop, macroseeded；pH 4.6；277 K；sodium citrate, isopropanol, PEG 2000, pH 4.6, vapor diffusion, hanging drop, macroseeded, temperature 277K	Resolution 1.84 Å R-free 0.196
1Y48 Crystal structure of the complex of subtilisin BPN' with chymotrypsin inhibitor 2 R65A mutant Deposited 2004-11-30	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric	Chain E 108–382（275 aa）	Mutation：C-terminal 6-His tag	CA CALCIUM ION × 2 NA SODIUM ION × 2 CIT CITRIC ACID × 6 15P POLYETHYLENE GLYCOL (N=34) × 6	X-RAY DIFFRACTION X-ray crystallization conditions vapor diffusion, hanging drop, macroseeded；pH 4.6；277 K；sodium citrate, isopropanol, PEG 2000, pH 4.6, vapor diffusion, hanging drop, macroseeded, temperature 277K	Resolution 1.84 Å R-free 0.196
1Y4A Crystal structure of the complex of subtilisin BPN' with chymotrypsin inhibitor 2 M59R/E60S mutant Deposited 2004-11-30	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain E 108–382（275 aa）	Mutation：C-terminal 6-His tag	CA CALCIUM ION × 1 NA SODIUM ION × 1 CIT CITRIC ACID × 1 15P POLYETHYLENE GLYCOL (N=34) × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4.6；277 K；HANGING DROP microseeded. sodium citrate, isopropanol, PEG 2000, pH 4.6, vapor diffusion, hanging drop, microseeded, temperature 277K, VAPOR DIFFUSION, HANGING DROP	Resolution 1.60 Å R-free 0.203
1Y4D Crystal structure of the complex of subtilisin BPN' with chymotrypsin inhibitor 2 M59R/E60S mutant Deposited 2004-11-30	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain E 108–382（275 aa）	Mutation：C-terminal 6-His tag	CA CALCIUM ION × 1 NA SODIUM ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4.5；277 K；potassium phosphate, PEG 8000, pH 4.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K	Resolution 2.00 Å R-free 0.252
1YJA SUBTILISIN BPN' 8397+1 (E.C. 3.4.21.14) (MUTANT WITH MET 50 REPLACED BY PHE, ASN 76 REPLACED BY ASP, GLY 169 REPLACED BY ALA, GLN 206 REPLACED BY CYS, ASN 218 REPLACED BY SER AND LYS 256 REPLACED BY TYR) (M50F, N76D, G169A, Q206C, N218S, AND K256Y) IN 20% DIMETHYLFORMAMIDE Deposited 1996-01-16	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 108–382（275 aa）	Mutation：M50F, N76D, G169A, Q206C, N218S, K256Y Non-standard monomer：Yes (specific site not provided by mmCIF)	CA CALCIUM ION × 2	X-RAY DIFFRACTION mmCIF provides none of the parsed conditions	Resolution 1.80 Å
1YJB SUBTILISIN BPN' 8397+1 (E.C. 3.4.21.14) (MUTANT WITH MET 50 REPLACED BY PHE, ASN 76 REPLACED BY ASP, GLY 169 REPLACED BY ALA, GLN 206 REPLACED BY CYS, ASN 218 REPLACED BY SER AND LYS 256 REPLACED BY TYR) (M50F, N76D, G169A, Q206C, N218S, AND K256Y) IN 35% DIMETHYLFORMAMIDE Deposited 1996-01-16	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 108–382（275 aa）	Mutation：M50F, N76D, G169A, Q206C, N218S, K256Y Non-standard monomer：Yes (specific site not provided by mmCIF)	CA CALCIUM ION × 2	X-RAY DIFFRACTION mmCIF provides none of the parsed conditions	Resolution 1.80 Å
1YJC SUBTILISIN BPN' 8397+1 (E.C. 3.4.21.14) (MUTANT WITH MET 50 REPLACED BY PHE, ASN 76 REPLACED BY ASP, GLY 169 REPLACED BY ALA, GLN 206 REPLACED BY CYS, ASN 218 REPLACED BY SER AND LYS 256 REPLACED BY TYR) (M50F, N76D, G169A, Q206C, N218S, AND K256Y) IN 50% DIMETHYLFORMAMIDE Deposited 1996-01-16	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 108–382（275 aa）	Mutation：M50F, N76D, G169A, Q206C, N218S, K256Y Non-standard monomer：Yes (specific site not provided by mmCIF)	CA CALCIUM ION × 2	X-RAY DIFFRACTION mmCIF provides none of the parsed conditions	Resolution 1.80 Å
2SBT A COMPARISON OF THE THREE-DIMENSIONAL STRUCTURES OF SUBTILISIN BPN AND SUBTILISIN NOVO Deposited 1976-09-07	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 108–382（275 aa）	Not recorded	ACN ACETONE × 1	X-RAY DIFFRACTION mmCIF provides none of the parsed conditions	Resolution 2.80 Å
2SIC REFINED CRYSTAL STRUCTURE OF THE COMPLEX OF SUBTILISIN BPN' AND STREPTOMYCES SUBTILISIN INHIBITOR AT 1.8 ANGSTROMS RESOLUTION Deposited 1991-04-01	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 E 108–382（275 aa）	Not recorded	CA CALCIUM ION × 4	X-RAY DIFFRACTION mmCIF provides none of the parsed conditions	Resolution 1.80 Å
2SNI STRUCTURAL COMPARISON OF TWO SERINE PROTEINASE-PROTEIN INHIBITOR COMPLEXES. EGLIN-C-SUBTILISIN CARLSBERG AND CI-2-SUBTILISIN NOVO Deposited 1988-09-05	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain E 108–382（275 aa）	Not recorded	CA CALCIUM ION × 2	X-RAY DIFFRACTION mmCIF provides none of the parsed conditions	Resolution 2.10 Å
2ST1 THE THREE-DIMENSIONAL STRUCTURE OF BACILLUS AMYLOLIQUEFACIENS SUBTILISIN AT 1.8 ANGSTROMS AND AN ANALYSIS OF THE STRUCTURAL CONSEQUENCES OF PEROXIDE INACTIVATION Deposited 1990-05-11	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 108–382（275 aa）	Not recorded	CA CALCIUM ION × 2 SO4 SULFATE ION × 1	X-RAY DIFFRACTION mmCIF provides none of the parsed conditions	Resolution 1.80 Å
3CNQ Prosubtilisin Substrate Complex of Subtilisin SUBT_BACAM Deposited 2008-03-26	Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain P 32–106（75 aa） Fragment：Prodomain Chain S 108–382（275 aa） Fragment：Enzyme domain	Mutation：K27E, V37L, Q40C, K57E, H72K, V73L, A74Y, H75R, Y77L Mutation：;Q2K, S3C, P5S, S9A, I31L, D32A, K43N, M50F, A73L, Y104A, G128S, E156S, G166S, G169A, S188P, Q206C, N212G, K217L, N218S, S221A, T254A, Q271E ;	ZN ZINC ION × 5	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION；pH 6.5；298 K；18% PEG8K, 0.2 M Zn Acetate, 0.1 M Na Cacodylate, pH 6.5, vapor diffusion, temperature 298K	Resolution 1.71 Å R-free 0.232
3CNQ Prosubtilisin Substrate Complex of Subtilisin SUBT_BACAM Deposited 2008-03-26	Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain P 32–106（75 aa） Fragment：Prodomain Chain S 108–382（275 aa） Fragment：Enzyme domain	Mutation：K27E, V37L, Q40C, K57E, H72K, V73L, A74Y, H75R, Y77L Mutation：;Q2K, S3C, P5S, S9A, I31L, D32A, K43N, M50F, A73L, Y104A, G128S, E156S, G166S, G169A, S188P, Q206C, N212G, K217L, N218S, S221A, T254A, Q271E ;	ZN ZINC ION × 5	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION；pH 6.5；298 K；18% PEG8K, 0.2 M Zn Acetate, 0.1 M Na Cacodylate, pH 6.5, vapor diffusion, temperature 298K	Resolution 1.71 Å R-free 0.232
3CNQ Prosubtilisin Substrate Complex of Subtilisin SUBT_BACAM Deposited 2008-03-26	Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 3 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain P 32–106（75 aa） Fragment：Prodomain Chain S 108–382（275 aa） Fragment：Enzyme domain	Mutation：K27E, V37L, Q40C, K57E, H72K, V73L, A74Y, H75R, Y77L Mutation：;Q2K, S3C, P5S, S9A, I31L, D32A, K43N, M50F, A73L, Y104A, G128S, E156S, G166S, G169A, S188P, Q206C, N212G, K217L, N218S, S221A, T254A, Q271E ;	ZN ZINC ION × 5	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION；pH 6.5；298 K；18% PEG8K, 0.2 M Zn Acetate, 0.1 M Na Cacodylate, pH 6.5, vapor diffusion, temperature 298K	Resolution 1.71 Å R-free 0.232
3CO0 Substrate Complex of Fluoride-sensitive Engineered Subtilisin SUBT_BACAM Deposited 2008-03-26	Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain P 32–106（75 aa） Fragment：Prodomain Chain S 108–382（275 aa） Fragment：Enzyme domain	Mutation：K27E, V37L, Q40C, K57E, H72K, V73L, A74Y, H75R, Y77L Mutation：;Q2K, S3C, P5S, S9A, I31L, D32A, K43N, M50F, A73L, Y104A, G128S, E156S, G166S, G169A, S188P, Q206C, N212G, K217L, N218S, S221A, T254A, Q271E ;	ZN ZINC ION × 4	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；20 mg/mL ptn, l8% PEG8K, 0.2M ZnAc, 0.1M Cacodylate, pH 6.5, vapor diffusion, hanging drop, temperature 298K	Resolution 1.93 Å R-free 0.289
3CO0 Substrate Complex of Fluoride-sensitive Engineered Subtilisin SUBT_BACAM Deposited 2008-03-26	Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain P 32–106（75 aa） Fragment：Prodomain Chain S 108–382（275 aa） Fragment：Enzyme domain	Mutation：K27E, V37L, Q40C, K57E, H72K, V73L, A74Y, H75R, Y77L Mutation：;Q2K, S3C, P5S, S9A, I31L, D32A, K43N, M50F, A73L, Y104A, G128S, E156S, G166S, G169A, S188P, Q206C, N212G, K217L, N218S, S221A, T254A, Q271E ;	ZN ZINC ION × 4	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；20 mg/mL ptn, l8% PEG8K, 0.2M ZnAc, 0.1M Cacodylate, pH 6.5, vapor diffusion, hanging drop, temperature 298K	Resolution 1.93 Å R-free 0.289
3F49 Anion-triggered Engineered Subtilisin SUBT_BACAM Deposited 2008-10-31	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain S 108–382（275 aa） Fragment：Enzyme domain	Mutation：;Q2K, S3C, P5S, S9A, I31L, D32A, K43N, M50F, A73L, deleted 75-83, Y104A, G128S, E156S, G166S, G169A, S188P, Q206C, N212G, Y217L, N218S, T254A, Q271E ;	NA SODIUM ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；20 mg/mL protein, 30% PEG 5000 MME, 0.2M Ammonium Sulphate, 0.1M MES, pH 6.5, vapor diffusion, hanging drop, temperature 298K	Resolution 1.70 Å R-free 0.199
3SIC MOLECULAR RECOGNITION AT THE ACTIVE SITE OF SUBTILISIN BPN': CRYSTALLOGRAPHIC STUDIES USING GENETICALLY ENGINEERED PROTEINACEOUS INHIBITOR SSI (STREPTOMYCES SUBTILISIN INHIBITOR) Deposited 1991-08-30	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 E 108–382（275 aa）	Not recorded	CA CALCIUM ION × 4	X-RAY DIFFRACTION mmCIF provides none of the parsed conditions	Resolution 1.80 Å
5OX2 Crystal structure of thymoligase, a substrate-tailored peptiligase variant Deposited 2017-09-05	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain A 108–382（275 aa）	Not recorded	SO4 SULFATE ION × 4	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.5；294 K；1.0 M Ammonium Sulfate, 0.1 M Bis-tris, 1% PEG3350	Resolution 2.24 Å R-free 0.230
5SIC MOLECULAR RECOGNITION AT THE ACTIVE SITE OF SUBTILISIN BPN': CRYSTALLOGRAPHIC STUDIES USING GENETICALLY ENGINEERED PROTEINACEOUS INHIBITOR SSI (STREPTOMYCES SUBTILISIN INHIBITOR) Deposited 1991-11-18	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 E 108–382（275 aa）	Not recorded	CA CALCIUM ION × 4	X-RAY DIFFRACTION mmCIF provides none of the parsed conditions	Resolution 2.20 Å
7AM3 Crystal structure of Peptiligase mutant - M222P Deposited 2020-10-08	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 108–382（275 aa）	Mutation：Q2K S3C P5S S9A I31L S212C P216A M50F A73L DELTA75-83 E156S G166S G169A S188P Q206C N212G K217L N218S S221A T254A Q271E M222P Non-standard monomer：Yes (specific site not provided by mmCIF)	GOL GLYCEROL × 4 SO4 SULFATE ION × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；294 K；1.4 M MgSO4 , 0.1 M MES pH 6.5.	Resolution 1.61 Å R-free 0.159
7AM4 Crystal structure of Peptiligase mutant - L217H/M222P Deposited 2020-10-08	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 108–382（275 aa）	Non-standard monomer：Yes (specific site not provided by mmCIF)	GOL GLYCEROL × 3 SO4 SULFATE ION × 4	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；298 K；1.6 magnesium sulfate, 0.1 M MES	Resolution 1.81 Å R-free 0.172
7AM5 Crystal structure of Peptiligase mutant - L217H/M222P/A225N Deposited 2020-10-08	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 108–382（275 aa）	Not recorded	NA SODIUM ION × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；294 K；20% polyacrylic acid 5100	Resolution 2.30 Å R-free 0.287
7AM6 Crystal structure of Peptiligase mutant - L217H/M222P/A225N/F189W Deposited 2020-10-08	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 108–382（275 aa）	Non-standard monomer：Yes (specific site not provided by mmCIF)	GOL GLYCEROL × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；294 K；1.2 -1.8 M ammonium tartrate	Resolution 2.70 Å R-free 0.252
7AM6 Crystal structure of Peptiligase mutant - L217H/M222P/A225N/F189W Deposited 2020-10-08	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain B 108–382（275 aa）	Not recorded	GOL GLYCEROL × 5 TAR D(-)-TARTARIC ACID × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；294 K；1.2 -1.8 M ammonium tartrate	Resolution 2.70 Å R-free 0.252
7AM6 Crystal structure of Peptiligase mutant - L217H/M222P/A225N/F189W Deposited 2020-10-08	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain C 108–382（275 aa）	Non-standard monomer：Yes (specific site not provided by mmCIF)	GOL GLYCEROL × 2 TAR D(-)-TARTARIC ACID × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；294 K；1.2 -1.8 M ammonium tartrate	Resolution 2.70 Å R-free 0.252
7AM7 Crystal structure of Peptiligase mutant - M222P/L217H/A225N/F189W/N218D Deposited 2020-10-08	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 108–382（275 aa）	Non-standard monomer：Yes (specific site not provided by mmCIF)	GOL GLYCEROL × 2 SO4 SULFATE ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；294 K；1.2 M Ammonium sulfate, 0.25 PEG3350, 0.1 M MES	Resolution 2.61 Å R-free 0.237
7AM7 Crystal structure of Peptiligase mutant - M222P/L217H/A225N/F189W/N218D Deposited 2020-10-08	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain B 108–382（275 aa）	Not recorded	GOL GLYCEROL × 5 SO4 SULFATE ION × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；294 K；1.2 M Ammonium sulfate, 0.25 PEG3350, 0.1 M MES	Resolution 2.61 Å R-free 0.237
7AM7 Crystal structure of Peptiligase mutant - M222P/L217H/A225N/F189W/N218D Deposited 2020-10-08	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain C 108–382（275 aa）	Non-standard monomer：Yes (specific site not provided by mmCIF)	GOL GLYCEROL × 2 SO4 SULFATE ION × 2 PGE TRIETHYLENE GLYCOL × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；294 K；1.2 M Ammonium sulfate, 0.25 PEG3350, 0.1 M MES	Resolution 2.61 Å R-free 0.237
7AM8 Crystal structure of Omniligase mutant W189F Deposited 2020-10-08	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 108–382（275 aa）	Not recorded	HIS HISTIDINE × 1 AKR ACRYLIC ACID × 1 NA SODIUM ION × 2 CL CHLORIDE ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；294 K；20 @ polyacrylic acid 5100, 0.1 M HEPES	Resolution 2.04 Å R-free 0.228

62 other PDB entries and 81 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence

UniProt name	SUBT_BACAM
Isoform	—
PDB entities	1, 2
Chains and sequence ranges	Author chain P； PDBConstruct 3–75； UniProt 32–106 Author chain S； PDBConstruct 1–266； UniProt 108–382

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	3bgo
Deposition date deposition_date	2007-11-27
Structure title title	Azide complex of Engineered Subtilisin SUBT_BACAM
Keywords keywords	azide switch, anion sensor, Hydrolase, Metal-binding, Protease, Secreted, Serine protease, Sporulation, Zymogen; 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	20.65 Å
Radius of gyration Rg (electron density) rg_electron	19.70 Å
Forward intensity I(0) i0	21198200.00
Molecular weight molecular_weight	34320.0 kDa
Excluded volume excluded_volume	42666 Å³
Envelope volume envelope_volume	47842 Å³
Hydration-shell volume shell_volume	20468 Å³
Envelope diameter envelope_diameter	71.0 Å
Shell Rg shell_rg	26.26 Å
Envelope Rg envelope_rg	20.19 Å
Shape Rg shape_rg	19.68 Å
Total Rg total_rg	20.64 Å
Total atoms total_atoms	2401
Residues n_residues	334
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	69.5 Å
Rg (real space) rg_real	20.63 Å
Rg uncertainty (real space) rg_real_error	0.40 Å
I(0) (real space) i0_real	2.1200e+07
I(0) uncertainty (real space) i0_real_error	2.4810e+05
Rg (reciprocal space) rg_reciprocal	20.63 Å
I(0) (reciprocal space) i0_reciprocal	21200000.0000
Solution quality estimate total_estimate	0.8757
Solution quality rating solution_quality	GOOD a GOOD solution
P(r) peaks n_peaks	2
Primary peak position r_peak_primary	24.2 Å
Skewness Skewness skewness	0.366
Kurtosis Kurtosis kurtosis	-0.243
Angular range angular_range	— – 0.3850 Å⁻¹
Current regularization parameter α current_alpha	0.0000
Highest regularization parameter α highest_alpha	7939000.0000
Real-space data points n_real_points	70
GNOM version gnom_version	4.1.3
Quality Criteria quality_criteria	AN1: 0.000; Oscil: 0.806; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.989; Smooth: 0.974

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5. Crystallography and Experiment 5. Crystallography & Experiment

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6. Entities and Polymers Entities & Polymers (5)

Entity 1 Entity 1 polymer

Description description	;Subtilisin BPN' ;
Molecular weight formula_weight	8786.1 kDa
Mutation mutation	K27E, V37L, Q40C, K57E, H72K, V73L, A74Y, H75R, Y77L
Source method src_method	man
Copy count entity_count	1

Polymer Polymer

Polymer type type	polypeptide(L)
Chain IDs strand_id	P
Atom count atom_count	2694

MGGKSNGEKKYIVGFKQGFKSCAKKEDVISEKGGKLQKCFKYVDAASATLNEKAVEELKKDPSVAYVEEDKLYRALSATS

来源 Source

来源生物 organism	Bacillus amyloliquefaciens
NCBI Class编号 ncbi_taxonomy_id	1390
宿主生物 host_organism	Escherichia coli

Entity 2 Entity 2 polymer

Description description	;Subtilisin BPN' ;
Molecular weight formula_weight	26420.4 kDa
EC 编号 ec_number	3.4.21.62
Mutation mutation	;Q2K, S3C, P5S, S9A, I31L, D32A, K43N, M50F, A73L, Y104A, G128S, E156S, G166S, G169A, S188P, Q206C, N212G, K217L, N218S, S221A, T254A, Q271E ;
Source method src_method	man
Copy count entity_count	1

Polymer Polymer

Polymer type type	polypeptide(L)
Chain IDs strand_id	S

AKCVSYGVAQIKAPALHSQGYTGSNVKVAVLASGIDSSHPDLNVAGGASFVPSETNPFQDNNSHGTHVAGTVLAVAPSASLYAVKVLGADGSGQASWIINGIEWAIANNMDVINMSLGSPSGSAALKAAVDKAVASGVVVVAAAGNSGTSGSSSTVSYPAKYPSVIAVGAVDSSNQRAPFSSVGPELDVMAPGVSICSTLPGGKYGALSGTAMASPHVAGAAALILSKHPNWTNTQVRSSLENTATKLGDSFYYGKGLINVEAAAQ

来源 Source

来源生物 organism	Bacillus amyloliquefaciens
NCBI Class编号 ncbi_taxonomy_id	1390
宿主生物 host_organism	Escherichia coli

Entity 3 Entity 3 non-polymer

Description description	AZIDE ION
Molecular weight formula_weight	42.0 kDa
Source method src_method	syn
Copy count entity_count	1

Entity 4 Entity 4 non-polymer

Description description	ZINC ION
Molecular weight formula_weight	65.4 kDa
Source method src_method	syn
Copy count entity_count	4

Entity 5 Entity 5 water

Description description	water
Molecular weight formula_weight	18.0 kDa
Source method src_method	nat
Copy count entity_count	293

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7. Fold Classification (SCOP + CATH) 5 domains

SCOP 2.08 (3 domains)

Domain ID domain_id	d3bgop1
Class class	d — Alpha and beta proteins (a+b)
Fold Fold fold	d.58 — Ferredoxin-like
Superfamily Superfamily superfamily	d.58.3 — Protease propeptides/inhibitors
Family Family family	d.58.3.2 — Subtilase propeptides/inhibitors

Domain ID domain_id	d3bgop2
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

Domain ID domain_id	d3bgos_
Class class	c — Alpha and beta proteins (a/b)
Fold Fold fold	c.41 — Subtilisin-like
Superfamily Superfamily superfamily	c.41.1 — Subtilisin-like
Family Family family	c.41.1.1 — Subtilases

CATH v4.4 (2 domains)

Domain ID domain_id	3bgoP00
Class class	3 — Alpha Beta
Architecture architecture	30 — 2-Layer Sandwich
Topology topology	70 — Alpha-Beta Plaits
Homologous superfamily homologous superfamily	80 — Peptidase S8 propeptide/proteinase inhibitor I9

Domain ID domain_id	3bgoS00
Class class	3 — Alpha Beta
Architecture architecture	40 — 3-Layer(aba) Sandwich
Topology topology	50 — Rossmann fold
Homologous superfamily homologous superfamily	200 — Peptidase S8/S53 domain

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8. Citations (1)

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Unit-cell length a length_a	44.290 Å
Unit-cell length b length_b	72.840 Å
Unit-cell length c length_c	95.020 Å
Unit-cell angle α angle_alpha	90.00 °
Unit-cell angle β angle_beta	90.00 °
Unit-cell angle γ angle_gamma	90.00 °
Molecules per unit cell Z z_pdb	4

Space group space_group	P 21 21 21
Space-group number int_tables_number	19
Crystal system crystal_system	—

Resolution resolution	1.800 Å
Low-resolution limit resolution_low	8.000 Å
R factor r_factor	0.2080
R_work r_work	0.2050
R_free r_free	0.2620

fit	/app/data/saxs_computation/bg/3bgo/3bgo.fit
pddf	/app/data/pr_computation/bg/3bgo/3bgo.pr.out
profile	/app/data/saxs_computation/bg/3bgo/3bgo.dat

Azide complex of Engineered Subtilisin SUBT_BACAM

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

;Subtilisin BPN' ;

State in the Current Structure

Other States of the Same Protein in the Database

SAXS scattering curve SAXS Profile

P(r) Distance Distribution P(r) Distribution

2. Structure Basics 2. Structure Basics

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

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

5. Crystallography and Experiment 5. Crystallography & Experiment

Unit cell Unit Cell

Symmetry Symmetry

Refinement Refinement

6. Entities and Polymers Entities & Polymers (5)

Entity 1 Entity 1 polymer

Polymer Polymer

来源 Source

Entity 2 Entity 2 polymer

Polymer Polymer

来源 Source

Entity 3 Entity 3 non-polymer

Entity 4 Entity 4 non-polymer

Entity 5 Entity 5 water

7. Fold Classification (SCOP + CATH) 5 domains

SCOP 2.08 (3 domains)

CATH v4.4 (2 domains)

8. Citations (1)

9. Files and Curves (10)

Files (7)

Curves (3)