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1sub

CALCIUM-INDEPENDENT SUBTILISIN BY DESIGN

Method: X-RAY DIFFRACTION Dmax: 52.6 Å Quality: EXCELLENT
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1. Protein Identity and Related Structures Protein Identity & Related Structures

;SUBTILISIN BPN' CRB-S3 ;

Bacillus amyloliquefaciens

UniProt P00782

State in the Current Structure

Assembly Oligomeric State Construct Mutations and Modifications Ligands, Ions and Associated Components Method and Experimental Conditions Structure Quality
1 Protein monomer Monomer Protein × 1 PDB declaration: monomeric（1） Consistent with protein copy count Chain A； UniProt 108–382 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 experimental conditions Resolution 1.75 Å

Other States of the Same Protein in the Database

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

Other PDB Difference from Current Entry 1SUB 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 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 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 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 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 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 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 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 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 mutation/modification Different ligand/ion 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 mutation/modification Different ligand/ion 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 ligand/ion 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 ligand/ion 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 mutation/modification Different oligomeric state Different ligand/ion 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 mutation/modification Different ligand/ion 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 mutation/modification Different oligomeric state Different ligand/ion 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 ligand/ion 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 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
1SUC CALCIUM-INDEPENDENT SUBTILISIN BY DESIGN Deposited 1992-06-10 Different mutation/modification Different ligand/ion 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 ligand/ion 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 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 mutation/modification Different ligand/ion 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 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 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 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 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 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 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 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 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 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 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 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 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 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 mutation/modification 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 mutation/modification Different ligand/ion 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 ligand/ion 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 ligand/ion 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 mutation/modification Different ligand/ion 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 mutation/modification Different oligomeric state Different ligand/ion 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 mutation/modification Different oligomeric state Different ligand/ion 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 mutation/modification Different ligand/ion 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 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 mutation/modification Different oligomeric state Different ligand/ion 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 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 mutation/modification Different oligomeric state Different ligand/ion 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 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 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 mutation/modification 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 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 mutation/modification 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 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 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 mutation/modification 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 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 mutation/modification 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 A； PDBConstruct 1–275； 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

SAXS profile for 1sub

P(r) Distance Distribution P(r) Distribution

P(r) distribution for 1sub
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2. Structure Basics 2. Structure Basics

Entry ID entry_id1sub
Deposition date deposition_date1992-06-10
Structure title titleCALCIUM-INDEPENDENT SUBTILISIN BY DESIGN
Keywords keywordsHYDROLASE(SERINE PROTEINASE); HYDROLASE(SERINE PROTEINASE)
Experimental Method methodX-RAY DIFFRACTION
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3. SAXS Parameters (CRYSOL theoretical calculation) 3. SAXS Parameters (CRYSOL)

Radius of gyration Rg (Guinier) rg_guinier17.86 Å
Radius of gyration Rg (electron density) rg_electron16.68 Å
Forward intensity I(0) i014125300.00
Molecular weight molecular_weight27691.0 kDa
Excluded volume excluded_volume34377 ų
Envelope volume envelope_volume37406 ų
Hydration-shell volume shell_volume18268 ų
Envelope diameter envelope_diameter54.8 Å
Shell Rg shell_rg23.32 Å
Envelope Rg envelope_rg16.91 Å
Shape Rg shape_rg16.69 Å
Total Rg total_rg17.61 Å
Total atoms total_atoms1944
Residues n_residues274
Spherical-harmonic order n_harmonics20
q range q_range— – 0.5000 Å−1
Data points n_points101
Shell type shell_typedirectional
Solvent electron density solvent_density0.3340 e/ų
Shell contrast contrast_shell0.0300 e/ų
CRYSOL version crysol_version4.1.3
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4. P(r) Distance Distribution (GNOM inversion) 4. P(r) Analysis (GNOM)

Maximum dimension Dmax dmax52.6 Å
Rg (real space) rg_real17.69 Å
Rg uncertainty (real space) rg_real_error0.23 Å
I(0) (real space) i0_real1.4130e+07
I(0) uncertainty (real space) i0_real_error1.6670e+05
Rg (reciprocal space) rg_reciprocal17.71 Å
I(0) (reciprocal space) i0_reciprocal14130000.0000
Solution quality estimate total_estimate0.9046
Solution quality rating solution_quality EXCELLENT a EXCELLENT solution
P(r) peaks n_peaks2
Primary peak position r_peak_primary23.5 Å
Skewness Skewness skewness0.022
Kurtosis Kurtosis kurtosis-0.536
Angular range angular_range— – 0.4450 Å−1
Current regularization parameter α current_alpha0.0000
Highest regularization parameter α highest_alpha4665000.0000
Real-space data points n_real_points75
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.000; Oscil: 0.938; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.971; Smooth: 0.971
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5. Crystallography and Experiment 5. Crystallography & Experiment

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6. Entities and Polymers Entities & Polymers (5)

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7. Fold Classification (SCOP + CATH) 2 domains

SCOP 2.08 (1 domains)

Domain ID domain_idd1suba_
Class classc — Alpha and beta proteins (a/b)
Fold Fold foldc.41 — Subtilisin-like
Superfamily Superfamily superfamilyc.41.1 — Subtilisin-like
Family Family familyc.41.1.1 — Subtilases

CATH v4.4 (1 domains)

Domain ID domain_id1subA00
Class class3 — Alpha Beta
Architecture architecture40 — 3-Layer(aba) Sandwich
Topology topology50 — Rossmann fold
Homologous superfamily homologous superfamily200 — Peptidase S8/S53 domain
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8. Citations (1)

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9. Files and Curves (10)