1lw6

Crystal Structure of the Complex of Subtilisin BPN' with Chymotrypsin Inhibitor 2 at 1.5 Angstrom Resolution

Method: X-RAY DIFFRACTION D_max: 71.7 Å Quality: GOOD

▼

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 heterocomplex Heteromer Protein × 2 PDB declaration: dimeric（2） Consistent with protein copy count	Chain E； UniProt 108–382	Not recorded	SUBTILISIN-CHYMOTRYPSIN INHIBITOR-2A × 1 （P01053） 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

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 1LW6	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 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 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 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 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
1S01 LARGE INCREASES IN GENERAL STABILITY FOR SUBTILISIN BPN(PRIME) THROUGH INCREMENTAL CHANGES IN THE FREE ENERGY OF UNFOLDING Deposited 1989-08-21	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 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 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 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 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 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 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 oligomeric state 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 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 mutation/modification 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 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 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 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 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 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 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 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 mutation/modification 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 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 mutation/modification 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 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 mutation/modification 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 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 mutation/modification 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 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 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 mutation/modification 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 mutation/modification 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 mutation/modification 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 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 mutation/modification 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 mutation/modification 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 mutation/modification 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 mutation/modification 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 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 mutation/modification 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 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 mutation/modification 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 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 mutation/modification 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 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 mutation/modification 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 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 mutation/modification 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 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 mutation/modification 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 mutation/modification 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 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 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 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 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 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 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 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
3BGO Azide complex of Engineered Subtilisin SUBT_BACAM Deposited 2007-11-27	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 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 ;	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
3BGO Azide complex of Engineered Subtilisin SUBT_BACAM Deposited 2007-11-27	Different construct Different mutation/modification Different oligomeric state 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 ;	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
3CNQ Prosubtilisin Substrate Complex of Subtilisin SUBT_BACAM Deposited 2008-03-26	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 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 construct Different mutation/modification Different oligomeric state 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 construct Different mutation/modification Different oligomeric state 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 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 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 construct Different mutation/modification Different oligomeric state 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 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 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 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 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 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 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 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 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 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 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 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 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 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 82 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence

UniProt name	SUBT_BACAM
Isoform	—
PDB entities	1
Chains and sequence ranges	Author chain E； PDBConstruct 1–275； UniProt 108–382

SUBTILISIN-CHYMOTRYPSIN INHIBITOR-2A

Hordeum vulgare

UniProt P01053

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 heterocomplex Heteromer Protein × 2 PDB declaration: dimeric（2） Consistent with protein copy count	Chain I； UniProt 21–83	Mutation：E45A	;SUBTILISIN BPN' ; × 1 （P00782） 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

Other States of the Same Protein in the Database

Other PDB	Difference from Current Entry 1LW6	Assembly / Oligomeric State	Construct	Mutations and Modifications	Ligands, Ions and Non-polymers	Method and Experimental Conditions	Structure Quality
1CIQ COMPLEX OF TWO FRAGMENTS OF CI2, RESIDUES 1-40 AND 41-64 Deposited 1995-10-02	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 12 PDB declaration: dodecameric	Chain A 21–59（39 aa） Fragment：RESIDUES 1 - 40, 41 - 64 Chain B 60–83（24 aa） Fragment：RESIDUES 1 - 40, 41 - 64	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION mmCIF provides none of the parsed conditions	Resolution 2.20 Å
1CIQ COMPLEX OF TWO FRAGMENTS OF CI2, RESIDUES 1-40 AND 41-64 Deposited 1995-10-02	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 21–59（39 aa） Fragment：RESIDUES 1 - 40, 41 - 64 Chain B 60–83（24 aa） Fragment：RESIDUES 1 - 40, 41 - 64	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION mmCIF provides none of the parsed conditions	Resolution 2.20 Å
1CIR COMPLEX OF TWO FRAGMENTS OF CI2 [(1-40)(DOT)(41-64)] Deposited 1995-10-02	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 21–58（38 aa） Chain B 60–83（24 aa）	Non-standard monomer：Yes (specific site not provided by mmCIF)	No recorded non-water small molecule	SOLUTION NMR mmCIF provides none of the parsed conditions	Resolution not provided
1CIS CONTEXT DEPENDENCE OF PROTEIN SECONDARY STRUCTURE FORMATION. THE THREE-DIMENSIONAL STRUCTURE AND STABILITY OF A HYBRID BETWEEN CHYMOTRYPSIN INHIBITOR 2 AND HELIX E FROM SUBTILISIN CARLSBERG Deposited 1993-04-23	Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 21–83（63 aa）	Not recorded	No recorded non-water small molecule	SOLUTION NMR mmCIF provides none of the parsed conditions	Resolution not provided
1COA THE EFFECT OF CAVITY CREATING MUTATIONS IN THE HYDROPHOBIC CORE OF CHYMOTRYPSIN INHIBITOR 2 Deposited 1993-05-14	Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 12 PDB declaration: dodecameric	Chain I 21–83（63 aa）	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION mmCIF provides none of the parsed conditions	Resolution 2.20 Å
1CQ4 CI2 MUTANT WITH TETRAGLUTAMINE (MGQQQQGM) REPLACING MET59 Deposited 1998-11-17	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric	Chain A 21–59（39 aa） Chain B 60–83（24 aa）	Mutation：YES Mutation：YES	SO4 SULFATE ION × 2	X-RAY DIFFRACTION X-ray crystallization conditions pH 7.5；DROPS WERE PREPARED BY MIXING 2 MICROLITERS OF PURIFIED DIMER AT 25MG/ML WITH AN EQUAL VOLUME OF BUFFER (30% W/V PEG-400, 1.0 M LITHIUM SULPHATE, AND 1 MM CALCIUM CHLORIDE, IN 0.1 M TRIS-HCL AT PH 7.5), WHICH WAS ALSO USED AS THE WELL BUFFER (1 ML).	Resolution 1.80 Å R-free 0.300
1CQ4 CI2 MUTANT WITH TETRAGLUTAMINE (MGQQQQGM) REPLACING MET59 Deposited 1998-11-17	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein homooligomer Homooligomer；Protein × 12 PDB declaration: dodecameric	Chain A 21–59（39 aa） Chain B 60–83（24 aa）	Mutation：YES Mutation：YES	SO4 SULFATE ION × 6	X-RAY DIFFRACTION X-ray crystallization conditions pH 7.5；DROPS WERE PREPARED BY MIXING 2 MICROLITERS OF PURIFIED DIMER AT 25MG/ML WITH AN EQUAL VOLUME OF BUFFER (30% W/V PEG-400, 1.0 M LITHIUM SULPHATE, AND 1 MM CALCIUM CHLORIDE, IN 0.1 M TRIS-HCL AT PH 7.5), WHICH WAS ALSO USED AS THE WELL BUFFER (1 ML).	Resolution 1.80 Å R-free 0.300
1CQ4 CI2 MUTANT WITH TETRAGLUTAMINE (MGQQQQGM) REPLACING MET59 Deposited 1998-11-17	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 3 Protein homooligomer Homooligomer；Protein × 24 PDB declaration: 24-meric	Chain A 21–59（39 aa） Chain B 60–83（24 aa）	Mutation：YES Mutation：YES	SO4 SULFATE ION × 12	X-RAY DIFFRACTION X-ray crystallization conditions pH 7.5；DROPS WERE PREPARED BY MIXING 2 MICROLITERS OF PURIFIED DIMER AT 25MG/ML WITH AN EQUAL VOLUME OF BUFFER (30% W/V PEG-400, 1.0 M LITHIUM SULPHATE, AND 1 MM CALCIUM CHLORIDE, IN 0.1 M TRIS-HCL AT PH 7.5), WHICH WAS ALSO USED AS THE WELL BUFFER (1 ML).	Resolution 1.80 Å R-free 0.300
1YPA DIRECT OBSERVATION OF BETTER HYDRATION AT THE N-TERMINUS OF AN ALPHA-HELIX WITH GLYCINE RATHER THAN ALANINE AS N-CAP Deposited 1993-01-10	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 I 21–83（63 aa）	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION mmCIF provides none of the parsed conditions	Resolution 2.00 Å
1YPB DIRECT OBSERVATION OF BETTER HYDRATION AT THE N-TERMINUS OF AN ALPHA-HELIX WITH GLYCINE RATHER THAN ALANINE AS N-CAP Deposited 1993-01-10	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 I 21–83（63 aa）	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION mmCIF provides none of the parsed conditions	Resolution 2.00 Å
1YPC DIRECT OBSERVATION OF BETTER HYDRATION AT THE N-TERMINUS OF AN ALPHA-HELIX WITH GLYCINE RATHER THAN ALANINE AS N-CAP Deposited 1993-01-10	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 I 21–83（63 aa）	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION mmCIF provides none of the parsed conditions	Resolution 1.70 Å
2CI2 CRYSTAL AND MOLECULAR STRUCTURE OF THE SERINE PROTEINASE INHIBITOR CI-2 FROM BARLEY SEEDS 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 homooligomer Homooligomer；Protein × 6 PDB declaration: hexameric	Chain I 5–83（79 aa）	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION mmCIF provides none of the parsed conditions	Resolution 2.00 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 ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain I 1–83（83 aa）	Not recorded	CA CALCIUM ION × 2	X-RAY DIFFRACTION mmCIF provides none of the parsed conditions	Resolution 2.10 Å
3CI2 REFINEMENT OF THE THREE-DIMENSIONAL SOLUTION STRUCTURE OF BARLEY SERINE PROTEINASE INHIBITOR 2 AND COMPARISON WITH THE STRUCTURES IN CRYSTALS Deposited 1991-09-10	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 18–83（66 aa）	Not recorded	No recorded non-water small molecule	SOLUTION NMR mmCIF provides none of the parsed conditions	Resolution not provided
5FBZ Structure of subtilase SubHal from Bacillus halmapalus - complex with chymotrypsin inhibitor CI2A Deposited 2015-12-14	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain B 13–84（72 aa） Fragment：UNP residues 13-84	Not recorded	CA CALCIUM ION × 3	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；291 K；Plate-like crystals were grown by hanging drop vapour diffusion with the drop consisting of 2 microliters of 15-20 mg/mL concentration protein, 10 mM sodium cacodylate in HCl buffer, pH 6.5 and 1 microliter of reservoir solution: 20% w/v PEG 4000, 0.1 M HEPES buffer, pH 7.5, 10% v/v isopropanol.	Resolution 1.90 Å R-free 0.181
5FBZ Structure of subtilase SubHal from Bacillus halmapalus - complex with chymotrypsin inhibitor CI2A Deposited 2015-12-14	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain D 13–84（72 aa） Fragment：UNP residues 13-84	Not recorded	CA CALCIUM ION × 3	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；291 K；Plate-like crystals were grown by hanging drop vapour diffusion with the drop consisting of 2 microliters of 15-20 mg/mL concentration protein, 10 mM sodium cacodylate in HCl buffer, pH 6.5 and 1 microliter of reservoir solution: 20% w/v PEG 4000, 0.1 M HEPES buffer, pH 7.5, 10% v/v isopropanol.	Resolution 1.90 Å R-free 0.181
5FFN Complex of subtilase SubTY from Bacillus sp. TY145 with chymotrypsin inhibitor CI2A Deposited 2015-12-18	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain I 13–84（72 aa）	Not recorded	CA CALCIUM ION × 2 NA SODIUM ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；291 K；Complex was concentrated to 45 mg/ml in 10 mM Tris, pH 7.0. 1 microliter of protein solution with 1 microliter of a reservoir solution containing 5.5 M sodium formate, 0.2 M imidazole-malate pH 6.5, and 200 mM NDSB 201.	Resolution 1.80 Å R-free 0.188
6QIY CI-2, conformation 1 Deposited 2019-01-21	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 12 PDB declaration: dodecameric	Chain A 20–84（65 aa） Fragment：UNP RESIDUES 20-84	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；293 K；1.4 M AMMONIUM SULPHATE AND 100 MM TRIS-HCL PH 8.5, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 293K	Resolution 1.50 Å R-free 0.257
6QIZ CI-2, conformation 2 Deposited 2019-01-21	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 12 PDB declaration: dodecameric	Chain A 21–84（64 aa） Fragment：UNP RESIDUES 21-84	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；293 K；25% PEG 3350, 100 MM TRIS-HCL PH 8.5 AND 200 MM LITHIUM SULPHATE, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 293K	Resolution 1.65 Å R-free 0.220
7A1H Crystal structure of wild-type CI2 Deposited 2020-08-13	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 12 PDB declaration: dodecameric	Chain A 22–84（63 aa）	Not recorded	SO4 SULFATE ION × 24	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；293 K；40 % (NH4)2SO4, 50 mM Tris-Hcl, pH 8.0. Protein concentration app 75 mg/mL.	Resolution 1.90 Å R-free 0.254
7A3M Synergistic stabilization of a double mutant in CI2 from an in-cell library screen Deposited 2020-08-18	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 22–84（63 aa）	Mutation：I57V	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；40 % (NH4)2SO4, 50 mM Tris-HCl, pH 8.0	Resolution 1.01 Å R-free 0.181
7AOK Crystal structure of CI2 mutant L49I Deposited 2020-10-14	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 21–84（64 aa）	Mutation：L49I	SO4 SULFATE ION × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；293 K；40 % (NH4)2SO4, 50 mM Tris-HCl, pH 8.0	Resolution 1.87 Å R-free 0.246
7AON Crystal structure of CI2 double mutant L49I,I57V Deposited 2020-10-14	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 12 PDB declaration: dodecameric	Chain A 21–84（64 aa）	Mutation：L49I, I57V	SO4 SULFATE ION × 24 GOL GLYCEROL × 12	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；293 K；40 % (NH4)2SO4, 50 mM Tris-HCl, pH 8.0	Resolution 1.30 Å R-free 0.219

19 other PDB entries and 23 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence

UniProt name	ICI2_HORVU
Isoform	—
PDB entities	2
Chains and sequence ranges	Author chain I； PDBConstruct 2–64； UniProt 21–83

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

▼

2. Structure Basics 2. Structure Basics

Entry ID entry_id	1lw6
Deposition date deposition_date	2002-05-30
Structure title title	Crystal Structure of the Complex of Subtilisin BPN' with Chymotrypsin Inhibitor 2 at 1.5 Angstrom Resolution
Keywords keywords	SERINE PROTEASE, INHIBITOR, HYDROLASE; HYDROLASE
Experimental Method method	X-RAY DIFFRACTION

▼

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

Radius of gyration Rg (Guinier) rg_guinier	20.27 Å
Radius of gyration Rg (electron density) rg_electron	19.30 Å
Forward intensity I(0) i0	23451300.00
Molecular weight molecular_weight	35894.0 kDa
Excluded volume excluded_volume	44483 Å³
Envelope volume envelope_volume	50171 Å³
Hydration-shell volume shell_volume	21529 Å³
Envelope diameter envelope_diameter	69.0 Å
Shell Rg shell_rg	26.13 Å
Envelope Rg envelope_rg	19.69 Å
Shape Rg shape_rg	19.29 Å
Total Rg total_rg	20.20 Å
Total atoms total_atoms	2520
Residues n_residues	344
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

▼

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

Maximum dimension Dmax dmax	71.7 Å
Rg (real space) rg_real	20.20 Å
Rg uncertainty (real space) rg_real_error	0.38 Å
I(0) (real space) i0_real	2.3450e+07
I(0) uncertainty (real space) i0_real_error	2.8230e+05
Rg (reciprocal space) rg_reciprocal	20.21 Å
I(0) (reciprocal space) i0_reciprocal	23450000.0000
Solution quality estimate total_estimate	0.8453
Solution quality rating solution_quality	GOOD a GOOD solution
P(r) peaks n_peaks	1
Primary peak position r_peak_primary	25.6 Å
Skewness Skewness skewness	0.311
Kurtosis Kurtosis kurtosis	-0.129
Angular range angular_range	— – 0.3900 Å⁻¹
Current regularization parameter α current_alpha	0.0000
Highest regularization parameter α highest_alpha	7097000.0000
Real-space data points n_real_points	71
GNOM version gnom_version	4.1.3
Quality Criteria quality_criteria	AN1: 0.000; Oscil: 0.663; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.996; Smooth: 0.999

▶

5. Crystallography and Experiment 5. Crystallography & Experiment

▶

6. Entities and Polymers Entities & Polymers (5)

Entity 1 Entity 1 polymer

Description description	;SUBTILISIN BPN' ;
Molecular weight formula_weight	28381.4 kDa
EC 编号 ec_number	3.4.21.62
Source method src_method	man
Copy count entity_count	1

Polymer Polymer

Polymer type type	polypeptide(L)
Chain IDs strand_id	E
Atom count atom_count	3049

AQSVPYGVSQIKAPALHSQGYTGSNVKVAVIDSGIDSSHPDLKVAGGASMVPSETNPFQDNNSHGTHVAGTVAALNNSIGVLGVAPSASLYAVKVLGADGSGQYSWIINGIEWAIANNMDVINMSLGGPSGSAALKAAVDKAVASGVVVVAAAGNEGTSGSSSTVGYPGKYPSVIAVGAVDSSNQRASFSSVGPELDVMAPGVSIQSTLPGNKYGAYNGTSMASPHVAGAAALILSKHPNWTNTQVRSSLENTTTKLGDSFYYGKGLINVQAAAQHHHHHH

来源 Source

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

Entity 2 Entity 2 polymer

Description description	SUBTILISIN-CHYMOTRYPSIN INHIBITOR-2A
Molecular weight formula_weight	7255.6 kDa
Mutation mutation	E45A
Source method src_method	man
Copy count entity_count	1

Polymer Polymer

Polymer type type	polypeptide(L)
Chain IDs strand_id	I

MKTEWPELVGKSVEEAKKVILQDKPAAQIIVLPVGTIVTMEYRIDRVRLFVDKLDNIAQVPRVG

来源 Source

来源生物 organism	Hordeum vulgare
NCBI Class编号 ncbi_taxonomy_id	4513
宿主生物 host_organism	Escherichia coli BL21(DE3)

Entity 3 Entity 3 non-polymer

Description description	CALCIUM ION
Molecular weight formula_weight	40.1 kDa
Source method src_method	syn
Copy count entity_count	1

Entity 4 Entity 4 non-polymer

Description description	SULFATE ION
Molecular weight formula_weight	96.1 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	505

▼

7. Fold Classification (SCOP + CATH) 5 domains

SCOP 2.08 (3 domains)

Domain ID domain_id	d1lw6e1
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

Domain ID domain_id	d1lw6e2
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	d1lw6i_
Class class	d — Alpha and beta proteins (a+b)
Fold Fold fold	d.40 — CI-2 family of serine protease inhibitors
Superfamily Superfamily superfamily	d.40.1 — CI-2 family of serine protease inhibitors
Family Family family	d.40.1.1 — CI-2 family of serine protease inhibitors

CATH v4.4 (2 domains)

Domain ID domain_id	1lw6E00
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

Domain ID domain_id	1lw6I00
Class class	3 — Alpha Beta
Architecture architecture	30 — 2-Layer Sandwich
Topology topology	10 — Trypsin Inhibitor V; Chain A
Homologous superfamily homologous superfamily	10 — Trypsin Inhibitor V, subunit A

▶

8. Citations (1)

▶

Unit-cell length a length_a	54.332 Å
Unit-cell length b length_b	56.597 Å
Unit-cell length c length_c	118.635 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	1.500 Å
Low-resolution limit resolution_low	29.660 Å
R factor r_factor	0.1700
R_work r_work	0.1690
R_free r_free	0.1880

fit	/app/data/saxs_computation/lw/1lw6/1lw6.fit
pddf	/app/data/pr_computation/lw/1lw6/1lw6.pr.out
profile	/app/data/saxs_computation/lw/1lw6/1lw6.dat

Crystal Structure of the Complex of Subtilisin BPN' with Chymotrypsin Inhibitor 2 at 1.5 Angstrom Resolution

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

SUBTILISIN-CHYMOTRYPSIN INHIBITOR-2A

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

Diffraction experiment Diffraction

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)