Core Module I
OrganismNot specified
State in the Current Structure
| Assembly | Oligomeric State | Construct | Mutations and Modifications | Ligands, Ions and Associated Components | Method and Experimental Conditions | Structure Quality |
|---|---|---|---|---|---|---|
| 1 | Protein homooligomer Homooligomer Protein × 2 PDB declaration: dimeric（2） Consistent with protein copy count | Chain A； UniProt 49–73 Chain B； UniProt 49–73 | Non-standard monomer：Yes (specific site not provided by mmCIF) | C55 (7E)-4,9-dioxo-6-oxa-3,7,10-triazadodec-7-ene-1,12-dioic acid × 1 | SOLUTION NMR NMR measurement conditions：pH 3；278 K；Pressure ambient NMR measurement conditions：pH 3；288 K；Pressure ambient NMR sample composition：0.4 mM BetaCore selectively-15N; pH3; 90% H2O, 10% D2O | 90% H2O/10% D2O | Resolution not provided |
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 1K09 | Assembly / Oligomeric State | Construct | Mutations and Modifications | Ligands, Ions and Non-polymers | Method and Experimental Conditions | Structure Quality |
|---|---|---|---|---|---|---|---|
| 1AAL STRUCTURAL EFFECTS INDUCED BY MUTAGENESIS AFFECTED BY CRYSTAL PACKING FACTORS: THE STRUCTURE OF A 30-51 DISULFIDE MUTANT OF BASIC PANCREATIC TRYPSIN INHIBITOR Deposited 1992-04-09 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
36–93（58 aa）
|
Not recorded | No recorded non-water small molecule | X-RAY DIFFRACTION mmCIF provides none of the parsed conditions | Resolution 1.60 Å |
| 1AAL STRUCTURAL EFFECTS INDUCED BY MUTAGENESIS AFFECTED BY CRYSTAL PACKING FACTORS: THE STRUCTURE OF A 30-51 DISULFIDE MUTANT OF BASIC PANCREATIC TRYPSIN INHIBITOR Deposited 1992-04-09 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
36–93（58 aa）
|
Not recorded | PO4 PHOSPHATE ION × 1 | X-RAY DIFFRACTION mmCIF provides none of the parsed conditions | Resolution 1.60 Å |
| 1B0C EVIDENCE OF A COMMON DECAMER IN THREE CRYSTAL STRUCTURES OF BPTI, CRYSTALLIZED FROM THIOCYANATE, CHLORIDE OR SULFATE Deposited 1998-11-06 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 10 PDB declaration: decameric |
Chain A
1–58（58 aa）
Chain B
1–58（58 aa）
Chain C
1–58（58 aa）
Chain D
1–58（58 aa）
Chain E
1–58（58 aa）
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 4.5；ACETATE BUFFER PH=4.5 BPTI 60 TO 100 MG/ML NACL 1.6 TO 2 M
|
Resolution 2.80 Å R-free 0.223 |
| 1BHC BOVINE PANCREATIC TRYPSIN INHIBITOR CRYSTALLIZED FROM THIOCYANATE Deposited 1998-06-05 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 10 PDB declaration: decameric |
Chain A
36–93（58 aa）
Chain B
36–93（58 aa）
Chain C
36–93（58 aa）
Chain D
36–93（58 aa）
Chain E
36–93（58 aa）
Chain F
36–93（58 aa）
Chain G
36–93（58 aa）
Chain H
36–93（58 aa）
Chain I
36–93（58 aa）
Chain J
36–93（58 aa）
|
Not recorded | SCN THIOCYANATE ION × 10 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 4.5；BPTI WAS CRYSTALLIZED FROM 250MM THIOCYANATE IN ACETATE BUFFER (50MM, PH=4.5)
|
Resolution 2.70 Å R-free 0.265 |
| 1BPI THE STRUCTURE OF BOVINE PANCREATIC TRYPSIN INHIBITOR AT 125K: DEFINITION OF CARBOXYL-TERMINAL RESIDUES GLYCINE-57 AND ALANINE-58 Deposited 1995-02-18 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
36–93（58 aa）
|
Not recorded | PO4 PHOSPHATE ION × 1 | X-RAY DIFFRACTION mmCIF provides none of the parsed conditions | Resolution 1.09 Å |
| 1BPT CREVICE-FORMING MUTANTS OF BPTI: CRYSTAL STRUCTURES OF F22A, Y23A, N43G, AND F45A Deposited 1991-12-11 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
36–93（58 aa）
|
Not recorded | PO4 PHOSPHATE ION × 1 | X-RAY DIFFRACTION mmCIF provides none of the parsed conditions | Resolution 2.00 Å |
| 1BRB CRYSTAL STRUCTURES OF RAT ANIONIC TRYPSIN COMPLEXED WITH THE PROTEIN INHIBITORS APPI AND BPTI Deposited 1992-12-17 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain I
36–93（58 aa）
|
Not recorded | No recorded non-water small molecule | X-RAY DIFFRACTION mmCIF provides none of the parsed conditions | Resolution 2.10 Å |
| 1BTH STRUCTURE OF THROMBIN COMPLEXED WITH BOVINE PANCREATIC TRYPSIN INHIBITOR Deposited 1996-12-03 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric |
Chain P
36–93（58 aa）
|
Not recorded | No recorded non-water small molecule | X-RAY DIFFRACTION mmCIF provides none of the parsed conditions | Resolution 2.30 Å R-free 0.271 |
| 1BTH STRUCTURE OF THROMBIN COMPLEXED WITH BOVINE PANCREATIC TRYPSIN INHIBITOR Deposited 1996-12-03 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric |
Chain Q
36–93（58 aa）
|
Not recorded | No recorded non-water small molecule | X-RAY DIFFRACTION mmCIF provides none of the parsed conditions | Resolution 2.30 Å R-free 0.271 |
| 1BTI CREVICE-FORMING MUTANTS IN THE RIGID CORE OF BOVINE PANCREATIC TRYPSIN INHIBITOR: CRYSTAL STRUCTURES OF F22A, Y23A, N43G, AND F45A Deposited 1991-07-11 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
36–93（58 aa）
|
Not recorded | No recorded non-water small molecule | X-RAY DIFFRACTION mmCIF provides none of the parsed conditions | Resolution 2.20 Å |
| 1BZ5 EVIDENCE OF A COMMON DECAMER IN THREE CRYSTAL STRUCTURES OF BPTI, CRYSTALLIZE FROM THIOCYANATE, CHLORIDE OR SULFATE Deposited 1998-11-05 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 10 PDB declaration: decameric |
Chain A
1–58（58 aa）
Chain B
1–58（58 aa）
Chain C
1–58（58 aa）
Chain D
1–58（58 aa）
Chain E
1–58（58 aa）
|
Not recorded | SO4 SULFATE ION × 6 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 4.5；SODIUM ACETATE BUFFER,PH=4.5 AMMONIUM SULPHATE 1.7 - 1.9M BPTI 10 - 20 MG/ML
|
Resolution 2.58 Å R-free 0.218 |
| 1BZX THE CRYSTAL STRUCTURE OF ANIONIC SALMON TRYPSIN IN COMPLEX WITH BOVINE PANCREATIC TRYPSIN INHIBITOR Deposited 1998-11-05 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain I
36–93（58 aa）
|
Not recorded | CA CALCIUM ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7.5；0.1 M HEPES PH 7.5, 0.8-1.2 M POTASSIUM SODIUM TARTRATE
|
Resolution 2.10 Å R-free 0.238 |
| 1CBW BOVINE CHYMOTRYPSIN COMPLEXED TO BPTI Deposited 1996-12-22 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain D
36–93（58 aa）
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7.5；pH 7.5
|
Resolution 2.60 Å R-free 0.251 |
| 1CBW BOVINE CHYMOTRYPSIN COMPLEXED TO BPTI Deposited 1996-12-22 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain I
36–93（58 aa）
|
Not recorded | SO4 SULFATE ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7.5；pH 7.5
|
Resolution 2.60 Å R-free 0.251 |
| 1CBW BOVINE CHYMOTRYPSIN COMPLEXED TO BPTI Deposited 1996-12-22 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 3 Protein heterocomplex Heteromer；Protein × 8 PDB declaration: octameric |
Chain D
36–93（58 aa）
Chain I
36–93（58 aa）
|
Not recorded | SO4 SULFATE ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7.5；pH 7.5
|
Resolution 2.60 Å R-free 0.251 |
| 1CO7 R117H mutant rat anionic trypsin complexed with bovine pancreatic trypsin inhibitor (BPTI) Deposited 1999-06-07 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain I
2–100（99 aa）
|
Not recorded | CA CALCIUM ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 8.5；pH 8.5
|
Resolution 1.90 Å R-free 0.210 |
| 1D0D CRYSTAL STRUCTURE OF TICK ANTICOAGULANT PROTEIN COMPLEXED WITH BOVINE PANCREATIC TRYPSIN INHIBITOR Deposited 1999-09-09 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain B
36–93（58 aa）
|
Not recorded | SO4 SULFATE ION × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；ammonium sulfate, ADA, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K
|
Resolution 1.62 Å R-free 0.211 |
| 1EAW Crystal structure of the MTSP1 (matriptase)-BPTI (aprotinin) complex Deposited 2001-07-17 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain B
36–93（58 aa）
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 8；pH 8.00
|
Resolution 2.93 Å R-free 0.279 |
| 1EAW Crystal structure of the MTSP1 (matriptase)-BPTI (aprotinin) complex Deposited 2001-07-17 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain D
36–93（58 aa）
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 8；pH 8.00
|
Resolution 2.93 Å R-free 0.279 |
| 1EJM CRYSTAL STRUCTURE OF THE BPTI ALA16LEU MUTANT IN COMPLEX WITH BOVINE TRYPSIN Deposited 2000-03-03 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain B
36–93（58 aa）
|
Mutation：K15R, A16L, M52L | SO4 SULFATE ION × 4 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；310 K；48% saturated ammonium sulphate, 0.1 M Hepes buffer, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 37K
|
Resolution 1.85 Å R-free 0.233 |
| 1EJM CRYSTAL STRUCTURE OF THE BPTI ALA16LEU MUTANT IN COMPLEX WITH BOVINE TRYPSIN Deposited 2000-03-03 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain D
36–93（58 aa）
|
Mutation：K15R, A16L, M52L | SO4 SULFATE ION × 5 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；310 K；48% saturated ammonium sulphate, 0.1 M Hepes buffer, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 37K
|
Resolution 1.85 Å R-free 0.233 |
| 1EJM CRYSTAL STRUCTURE OF THE BPTI ALA16LEU MUTANT IN COMPLEX WITH BOVINE TRYPSIN Deposited 2000-03-03 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 3 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain F
36–93（58 aa）
|
Mutation：K15R, A16L, M52L | SO4 SULFATE ION × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；310 K；48% saturated ammonium sulphate, 0.1 M Hepes buffer, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 37K
|
Resolution 1.85 Å R-free 0.233 |
| 1F5R RAT TRYPSINOGEN MUTANT COMPLEXED WITH BOVINE PANCREATIC TRYPSIN INHIBITOR Deposited 2000-06-15 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain I
36–100（65 aa）
|
Not recorded | CA CALCIUM ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；22% PEG 3380, 300 mM Ammonium acetate, 100 mM Sodium acetate, , pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K
|
Resolution 1.65 Å R-free 0.220 |
| 1F7Z RAT TRYPSINOGEN K15A COMPLEXED WITH BOVINE PANCREATIC TRYPSIN INHIBITOR Deposited 2000-06-28 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain I
36–100（65 aa）
|
Not recorded | CA CALCIUM ION × 1 SO4 SULFATE ION × 2 | X-RAY DIFFRACTION mmCIF provides none of the parsed conditions | Resolution 1.55 Å R-free 0.209 |
| 1FAK HUMAN TISSUE FACTOR COMPLEXED WITH COAGULATION FACTOR VIIA INHIBITED WITH A BPTI-MUTANT Deposited 1998-12-28 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain I
37–90（54 aa）
|
Not recorded | GLC alpha-D-glucopyranose × 1 FUC alpha-L-fucopyranose × 1 CA CALCIUM ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 5.6；pH 5.6
|
Resolution 2.10 Å |
| 1FAN CREVICE-FORMING MUTANTS IN THE RIGID CORE OF BOVINE PANCREATIC TRYPSIN INHIBITOR: CRYSTAL STRUCTURES OF F22A, Y23A, N43G, AND F45A Deposited 1992-08-21 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
36–93（58 aa）
|
Not recorded | No recorded non-water small molecule | X-RAY DIFFRACTION mmCIF provides none of the parsed conditions | Resolution 2.00 Å |
| 1FY8 CRYSTAL STRUCTURE OF THE DELTAILE16VAL17 RAT ANIONIC TRYPSINOGEN-BPTI COMPLEX Deposited 2000-09-28 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain I
36–93（58 aa）
|
Not recorded | CA CALCIUM ION × 1 SO4 SULFATE ION × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.5；298 K；PEG 4000, lithium sulfate, tris, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 1.70 Å R-free 0.214 |
| 1G6X ULTRA HIGH RESOLUTION STRUCTURE OF BOVINE PANCREATIC TRYPSIN INHIBITOR (BPTI) MUTANT WITH ALTERED BINDING LOOP SEQUENCE Deposited 2000-11-08 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
36–93（58 aa）
|
Mutation：YES | SO4 SULFATE ION × 8 EDO 1,2-ETHANEDIOL × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；292 K；2% PEG 400,
2 M AMMONIUM SULFATE,
0.1 M NA HEPES.
A PROTEIN SAMPLE, LYOPHILIZED AFTER HPLC PURIFICATION FROM TFA/ACETONITRILE
MIXTURE, WAS DISSOLVED IN WATER TO A CONCENTRATION OF 9 MG/2 UL DROPS
OF THE PROTEIN SOLUTION WERE MIXED WITH 2 UL OF RESERVOIR SOLUTION CONTAINING 2% PEG 400, 2 M
AMMONIUM SULFATE AND 0.1 M NA HEPES, PH 7.5. THE HANGING DROPLETS WERE
EQUILIBRATED AT 19 DEG C THROUGH THE GAS PHASE WITH THE RESERVOIR.
PRISMATIC CRYSTALS MEASURING UP TO 0.4 MM GREW WITHIN 12 HOURS. FOR LOW-TEMPERATURE
DATA COLLECTION (100 K), THE CRYSTAL WAS CRYOPROTECTED IN THE RESERVOIR SOLUTION
SUPPLEMENTED BY 30 % ETHYLENE GLYCOL., VAPOR DIFFUSION, HANGING DROP, temperature 292K
|
Resolution 0.86 Å R-free 0.140 |
| 1G6X ULTRA HIGH RESOLUTION STRUCTURE OF BOVINE PANCREATIC TRYPSIN INHIBITOR (BPTI) MUTANT WITH ALTERED BINDING LOOP SEQUENCE Deposited 2000-11-08 | Different construct Different mutation/modification Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
36–93（58 aa）
|
Mutation：YES | SO4 SULFATE ION × 16 EDO 1,2-ETHANEDIOL × 4 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；292 K；2% PEG 400,
2 M AMMONIUM SULFATE,
0.1 M NA HEPES.
A PROTEIN SAMPLE, LYOPHILIZED AFTER HPLC PURIFICATION FROM TFA/ACETONITRILE
MIXTURE, WAS DISSOLVED IN WATER TO A CONCENTRATION OF 9 MG/2 UL DROPS
OF THE PROTEIN SOLUTION WERE MIXED WITH 2 UL OF RESERVOIR SOLUTION CONTAINING 2% PEG 400, 2 M
AMMONIUM SULFATE AND 0.1 M NA HEPES, PH 7.5. THE HANGING DROPLETS WERE
EQUILIBRATED AT 19 DEG C THROUGH THE GAS PHASE WITH THE RESERVOIR.
PRISMATIC CRYSTALS MEASURING UP TO 0.4 MM GREW WITHIN 12 HOURS. FOR LOW-TEMPERATURE
DATA COLLECTION (100 K), THE CRYSTAL WAS CRYOPROTECTED IN THE RESERVOIR SOLUTION
SUPPLEMENTED BY 30 % ETHYLENE GLYCOL., VAPOR DIFFUSION, HANGING DROP, temperature 292K
|
Resolution 0.86 Å R-free 0.140 |
| 1JV8 NMR Structure of BPTI Mutant G37A Deposited 2001-08-28 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–58（58 aa）
|
Mutation：G37A | No recorded non-water small molecule |
SOLUTION NMR
NMR measurement conditions
pH 4.6；298 K；Ionic strength (raw mmCIF value) 30 mM estimated from protein alone；Pressure ambient
NMR measurement conditions
pH 4.6；283 K；Ionic strength (raw mmCIF value) 30 mM estimated from protein alone；Pressure ambient
NMR sample composition
5 mM G37A BPTI, pH 4.6 with HCl | 90% H2O/10% D2O
NMR sample composition
5 mM G37A BPTI, pH 4.6 with DCl | 99.9% D2O
|
Resolution not provided |
| 1JV9 NMR Structure of BPTI Mutant G37A Deposited 2001-08-28 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–58（58 aa）
|
Mutation：G37A | No recorded non-water small molecule |
SOLUTION NMR
NMR measurement conditions
pH 4.6；298 K；Ionic strength (raw mmCIF value) 30 mM estimated from protein alone；Pressure ambient
NMR measurement conditions
pH 4.6；283 K；Ionic strength (raw mmCIF value) 30 mM estimated from protein alone；Pressure ambient
NMR sample composition
5 mM G37A BPTI, pH 4.6 with HCl | 90% H2O/10% D2O
NMR sample composition
5 mM G37A BPTI, pH 4.6 with DCl | 99.9% D2O
|
Resolution not provided |
| 1K6U Crystal Structure of Cyclic Bovine Pancreatic Trypsin Inhibitor Deposited 2001-10-17 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
36–93（58 aa）
|
Not recorded | SO4 SULFATE ION × 7 EDO 1,2-ETHANEDIOL × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；295 K；2M Ammonium sulfate, 2% PEG 400, 0.1M Hepes, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K
|
Resolution 1.00 Å R-free 0.162 |
| 1LD5 STRUCTURE OF BPTI MUTANT A16V Deposited 2002-04-08 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
36–93（58 aa）
|
Mutation：A16V | No recorded non-water small molecule |
SOLUTION NMR
NMR measurement conditions
pH 3.1；298 K；Ionic strength (raw mmCIF value) 0；Pressure ambient
NMR sample composition
4mM BPTI_A16V | 90% H2O/10% D2O
|
Resolution not provided |
| 1LD6 STRUCTURE OF BPTI_8A MUTANT Deposited 2002-04-08 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
36–93（58 aa）
|
Mutation：T11A, P13A, R17A, I18A, I19A, V34A, G37A, R39A | No recorded non-water small molecule |
SOLUTION NMR
NMR measurement conditions
pH 2.9；298 K；Ionic strength (raw mmCIF value) 0；Pressure ambient
NMR sample composition
3mM BPTI_8A | 90% H2O/10% D2O
|
Resolution not provided |
| 1MTN BOVINE ALPHA-CHYMOTRYPSIN:BPTI CRYSTALLIZATION Deposited 1996-03-28 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain D
36–93（58 aa）
|
Not recorded | SO4 SULFATE ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 6；pH 6.0
|
Resolution 2.80 Å R-free 0.240 |
| 1MTN BOVINE ALPHA-CHYMOTRYPSIN:BPTI CRYSTALLIZATION Deposited 1996-03-28 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain H
36–93（58 aa）
|
Not recorded | SO4 SULFATE ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 6；pH 6.0
|
Resolution 2.80 Å R-free 0.240 |
| 1MTN BOVINE ALPHA-CHYMOTRYPSIN:BPTI CRYSTALLIZATION Deposited 1996-03-28 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 3 Protein heterocomplex Heteromer；Protein × 8 PDB declaration: octameric |
Chain D
36–93（58 aa）
Chain H
36–93（58 aa）
|
Not recorded | SO4 SULFATE ION × 4 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 6；pH 6.0
|
Resolution 2.80 Å R-free 0.240 |
| 1NAG CREVICE-FORMING MUTANTS IN THE RIGID CORE OF BOVINE PANCREATIC TRYPSIN INHIBITOR: CRYSTAL STRUCTURES OF F22A, Y23A, N43G, AND F45A Deposited 1992-08-18 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
36–93（58 aa）
|
Not recorded | PO4 PHOSPHATE ION × 1 | X-RAY DIFFRACTION mmCIF provides none of the parsed conditions | Resolution 1.90 Å |
| 1OA5 The solution structure of bovine pancreatic trypsin inhibitor at high pressure Deposited 2003-01-02 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain 5
36–93（58 aa）
|
Not recorded | No recorded non-water small molecule |
SOLUTION NMR
NMR measurement conditions
pH 4.6；309 K；Ionic strength (raw mmCIF value) 0.2；Pressure 1
NMR sample composition
200 MM SODIUM ACETATE, 10MM PROTEIN
|
Resolution not provided |
| 1OA6 The solution structure of bovine pancreatic trypsin inhibitor at high pressure Deposited 2003-01-02 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain 5
36–93（58 aa）
|
Not recorded | No recorded non-water small molecule |
SOLUTION NMR
NMR measurement conditions
pH 4.6；309 K；Ionic strength (raw mmCIF value) 0.2；Pressure 2000
NMR sample composition
200 MM SODIUM ACETATE, 10MM PROTEIN
|
Resolution not provided |
| 1P2I Structural consequences of accommodation of four non-cognate amino-acid residues in the S1 pocket of bovine trypsin and chymotrypsin Deposited 2003-04-15 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain I
36–93（58 aa）
|
Mutation：K15G, M52L | CA CALCIUM ION × 1 SO4 SULFATE ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；310 K；50% ammonium sulfate, 0.1M Hepes, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 310K
|
Resolution 1.65 Å R-free 0.210 |
| 1P2J Structural consequences of accommodation of four non-cognate amino-acid residues in the S1 pocket of bovine trypsin and chymotrypsin Deposited 2003-04-15 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain I
36–93（58 aa）
|
Mutation：K15L, M52L | CA CALCIUM ION × 1 SO4 SULFATE ION × 4 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；310 K；50% ammonium sulfate, 0.1M Hepes, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 310K
|
Resolution 1.35 Å R-free 0.194 |
| 1P2J Structural consequences of accommodation of four non-cognate amino-acid residues in the S1 pocket of bovine trypsin and chymotrypsin Deposited 2003-04-15 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 8 PDB declaration: octameric |
Chain I
36–93（58 aa）
|
Mutation：K15L, M52L | CA CALCIUM ION × 4 SO4 SULFATE ION × 16 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；310 K；50% ammonium sulfate, 0.1M Hepes, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 310K
|
Resolution 1.35 Å R-free 0.194 |
| 1P2J Structural consequences of accommodation of four non-cognate amino-acid residues in the S1 pocket of bovine trypsin and chymotrypsin Deposited 2003-04-15 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 3 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain I
36–93（58 aa）
|
Mutation：K15L, M52L | CA CALCIUM ION × 2 SO4 SULFATE ION × 8 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；310 K；50% ammonium sulfate, 0.1M Hepes, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 310K
|
Resolution 1.35 Å R-free 0.194 |
| 1P2K Structural consequences of accommodation of four non-cognate amino-acid residues in the S1 pocket of bovine trypsin and chymotrypsin Deposited 2003-04-15 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain I
36–93（58 aa）
|
Mutation：K15V, M52L | CA CALCIUM ION × 1 SO4 SULFATE ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；310 K；50% ammonium sulfate, 0.1M Hepes, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 310K
|
Resolution 1.60 Å R-free 0.212 |
| 1P2M Structural consequences of accommodation of four non-cognate amino-acid residues in the S1 pocket of bovine trypsin and chymotrypsin Deposited 2003-04-15 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain B
36–93（58 aa）
|
Mutation：K15G, M52L | SO4 SULFATE ION × 5 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.8；298 K；50% ammonium sulfate, 0.1M Tris, pH 7.8, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 1.75 Å R-free 0.221 |
| 1P2M Structural consequences of accommodation of four non-cognate amino-acid residues in the S1 pocket of bovine trypsin and chymotrypsin Deposited 2003-04-15 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain D
36–93（58 aa）
|
Mutation：K15G, M52L | SO4 SULFATE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.8；298 K；50% ammonium sulfate, 0.1M Tris, pH 7.8, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 1.75 Å R-free 0.221 |
| 1P2M Structural consequences of accommodation of four non-cognate amino-acid residues in the S1 pocket of bovine trypsin and chymotrypsin Deposited 2003-04-15 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 3 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain B
36–93（58 aa）
Chain D
36–93（58 aa）
|
Mutation：K15G, M52L Mutation：K15G, M52L | SO4 SULFATE ION × 6 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.8；298 K；50% ammonium sulfate, 0.1M Tris, pH 7.8, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 1.75 Å R-free 0.221 |
| 1P2M Structural consequences of accommodation of four non-cognate amino-acid residues in the S1 pocket of bovine trypsin and chymotrypsin Deposited 2003-04-15 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 4 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain B
36–93（58 aa）
|
Mutation：K15G, M52L | SO4 SULFATE ION × 4 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.8；298 K；50% ammonium sulfate, 0.1M Tris, pH 7.8, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 1.75 Å R-free 0.221 |
| 1P2M Structural consequences of accommodation of four non-cognate amino-acid residues in the S1 pocket of bovine trypsin and chymotrypsin Deposited 2003-04-15 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 5 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain D
36–93（58 aa）
|
Mutation：K15G, M52L | SO4 SULFATE ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.8；298 K；50% ammonium sulfate, 0.1M Tris, pH 7.8, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 1.75 Å R-free 0.221 |
| 1P2N Structural consequences of accommodation of four non-cognate amino-acid residues in the S1 pocket of bovine trypsin and chymotrypsin Deposited 2003-04-15 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain B
36–93（58 aa）
|
Mutation：K15L, M52L | SO4 SULFATE ION × 5 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.8；295 K；50% ammonium sulfate, 0.1M Tris, pH 7.8, VAPOR DIFFUSION, HANGING DROP, temperature 295K
|
Resolution 1.80 Å R-free 0.213 |
| 1P2N Structural consequences of accommodation of four non-cognate amino-acid residues in the S1 pocket of bovine trypsin and chymotrypsin Deposited 2003-04-15 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain D
36–93（58 aa）
|
Mutation：K15L, M52L | SO4 SULFATE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.8；295 K；50% ammonium sulfate, 0.1M Tris, pH 7.8, VAPOR DIFFUSION, HANGING DROP, temperature 295K
|
Resolution 1.80 Å R-free 0.213 |
| 1P2N Structural consequences of accommodation of four non-cognate amino-acid residues in the S1 pocket of bovine trypsin and chymotrypsin Deposited 2003-04-15 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 3 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain B
36–93（58 aa）
Chain D
36–93（58 aa）
|
Mutation：K15L, M52L Mutation：K15L, M52L | SO4 SULFATE ION × 6 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.8；295 K；50% ammonium sulfate, 0.1M Tris, pH 7.8, VAPOR DIFFUSION, HANGING DROP, temperature 295K
|
Resolution 1.80 Å R-free 0.213 |
| 1P2N Structural consequences of accommodation of four non-cognate amino-acid residues in the S1 pocket of bovine trypsin and chymotrypsin Deposited 2003-04-15 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 4 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain B
36–93（58 aa）
Chain D
36–93（58 aa）
|
Mutation：K15L, M52L Mutation：K15L, M52L | SO4 SULFATE ION × 6 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.8；295 K；50% ammonium sulfate, 0.1M Tris, pH 7.8, VAPOR DIFFUSION, HANGING DROP, temperature 295K
|
Resolution 1.80 Å R-free 0.213 |
| 1P2N Structural consequences of accommodation of four non-cognate amino-acid residues in the S1 pocket of bovine trypsin and chymotrypsin Deposited 2003-04-15 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 5 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain B
36–93（58 aa）
|
Mutation：K15L, M52L | SO4 SULFATE ION × 4 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.8；295 K；50% ammonium sulfate, 0.1M Tris, pH 7.8, VAPOR DIFFUSION, HANGING DROP, temperature 295K
|
Resolution 1.80 Å R-free 0.213 |
| 1P2N Structural consequences of accommodation of four non-cognate amino-acid residues in the S1 pocket of bovine trypsin and chymotrypsin Deposited 2003-04-15 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 6 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain D
36–93（58 aa）
|
Mutation：K15L, M52L | SO4 SULFATE ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.8；295 K；50% ammonium sulfate, 0.1M Tris, pH 7.8, VAPOR DIFFUSION, HANGING DROP, temperature 295K
|
Resolution 1.80 Å R-free 0.213 |
| 1P2O Structural consequences of accommodation of four non-cognate amino-acid residues in the S1 pocket of bovine trypsin and chymotrypsin Deposited 2003-04-15 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain B
36–93（58 aa）
|
Mutation：K15V, M52L | SO4 SULFATE ION × 5 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.8；298 K；50% ammonium sulfate, 0.1M Tris, pH 7.8, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 2.00 Å R-free 0.253 |
| 1P2O Structural consequences of accommodation of four non-cognate amino-acid residues in the S1 pocket of bovine trypsin and chymotrypsin Deposited 2003-04-15 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain D
36–93（58 aa）
|
Mutation：K15V, M52L | SO4 SULFATE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.8；298 K；50% ammonium sulfate, 0.1M Tris, pH 7.8, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 2.00 Å R-free 0.253 |
| 1P2O Structural consequences of accommodation of four non-cognate amino-acid residues in the S1 pocket of bovine trypsin and chymotrypsin Deposited 2003-04-15 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 3 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain B
36–93（58 aa）
Chain D
36–93（58 aa）
|
Mutation：K15V, M52L Mutation：K15V, M52L | SO4 SULFATE ION × 6 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.8；298 K；50% ammonium sulfate, 0.1M Tris, pH 7.8, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 2.00 Å R-free 0.253 |
| 1P2O Structural consequences of accommodation of four non-cognate amino-acid residues in the S1 pocket of bovine trypsin and chymotrypsin Deposited 2003-04-15 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 4 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain D
36–93（58 aa）
|
Mutation：K15V, M52L | SO4 SULFATE ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.8；298 K；50% ammonium sulfate, 0.1M Tris, pH 7.8, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 2.00 Å R-free 0.253 |
| 1P2O Structural consequences of accommodation of four non-cognate amino-acid residues in the S1 pocket of bovine trypsin and chymotrypsin Deposited 2003-04-15 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 5 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain B
36–93（58 aa）
|
Mutation：K15V, M52L | SO4 SULFATE ION × 4 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.8；298 K；50% ammonium sulfate, 0.1M Tris, pH 7.8, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 2.00 Å R-free 0.253 |
| 1P2Q Structural consequences of accommodation of four non-cognate amino-acid residues in the S1 pocket of bovine trypsin and chymotrypsin Deposited 2003-04-15 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain B
36–93（58 aa）
|
Mutation：K15F, M52L | SO4 SULFATE ION × 7 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.8；298 K；50% ammonium sulfate, 0.1M Tris, pH 7.8, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 1.80 Å R-free 0.221 |
| 1P2Q Structural consequences of accommodation of four non-cognate amino-acid residues in the S1 pocket of bovine trypsin and chymotrypsin Deposited 2003-04-15 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain D
36–93（58 aa）
|
Mutation：K15F, M52L | SO4 SULFATE ION × 3 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.8；298 K；50% ammonium sulfate, 0.1M Tris, pH 7.8, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 1.80 Å R-free 0.221 |
| 1P2Q Structural consequences of accommodation of four non-cognate amino-acid residues in the S1 pocket of bovine trypsin and chymotrypsin Deposited 2003-04-15 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 3 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain B
36–93（58 aa）
Chain D
36–93（58 aa）
|
Mutation：K15F, M52L Mutation：K15F, M52L | SO4 SULFATE ION × 10 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.8；298 K；50% ammonium sulfate, 0.1M Tris, pH 7.8, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 1.80 Å R-free 0.221 |
| 1P2Q Structural consequences of accommodation of four non-cognate amino-acid residues in the S1 pocket of bovine trypsin and chymotrypsin Deposited 2003-04-15 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 4 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain D
36–93（58 aa）
|
Mutation：K15F, M52L | SO4 SULFATE ION × 4 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.8；298 K；50% ammonium sulfate, 0.1M Tris, pH 7.8, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 1.80 Å R-free 0.221 |
| 1P2Q Structural consequences of accommodation of four non-cognate amino-acid residues in the S1 pocket of bovine trypsin and chymotrypsin Deposited 2003-04-15 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 5 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain B
36–93（58 aa）
|
Mutation：K15F, M52L | SO4 SULFATE ION × 6 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.8；298 K；50% ammonium sulfate, 0.1M Tris, pH 7.8, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 1.80 Å R-free 0.221 |
| 1PIT DETERMINATION OF A HIGH-QUALITY NUCLEAR MAGNETIC RESONANCE SOLUTION STRUCTURE OF THE BOVINE PANCREATIC TRYPSIN INHIBITOR AND COMPARISON WITH THREE CRYSTAL STRUCTURES Deposited 1992-04-30 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
36–93（58 aa）
|
Not recorded | No recorded non-water small molecule | SOLUTION NMR mmCIF provides none of the parsed conditions | Resolution not provided |
| 1QLQ Bovine Pancreatic Trypsin Inhibitor (BPTI) Mutant with Altered Binding Loop Sequence Deposited 1999-09-10 | 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
36–93（58 aa）
|
Mutation：YES | SO4 SULFATE ION × 4 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；292 K；A PROTEIN SAMPLE, LYOPHILIZED AFTER HPLC PURIFICATION FROM TFA/ACETONITRILE MIXTURE, WAS DISSOLVED IN WATER TO A CONCENTRATION OF 9 MG/ML. 2 UL DROPS OF THE PROTEIN SOLUTION WERE MIXED WITH 2 UL OF RESERVOIR SOLUTION CONTAINING 2% PEG 400, 2 M AMMONIUM SULFATE AND 0.1 M NA HEPES, PH 7.5. THE HANGING DROPLETS WERE EQUILIBRATED AT 19 DEG C THROUGH THE GAS PHASE WITH THE RESERVOIR. PRISMATIC CRYSTALS MEASURING UP TO 0.4 MM GREW WITHIN 12 HOURS.
|
Resolution 1.42 Å R-free 0.161 |
| 1T7C CRYSTAL STRUCTURE OF THE P1 GLU BPTI MUTANT- BOVINE CHYMOTRYPSIN COMPLEX Deposited 2004-05-09 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain B
36–93（58 aa）
|
Mutation：K50E, M87L | SO4 SULFATE ION × 7 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.8；298 K；50% AMMONIUM SULFATE, 0.1M TRIS, pH 7.80, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 1.85 Å R-free 0.218 |
| 1T7C CRYSTAL STRUCTURE OF THE P1 GLU BPTI MUTANT- BOVINE CHYMOTRYPSIN COMPLEX Deposited 2004-05-09 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain D
36–93（58 aa）
|
Mutation：K50E, M87L | SO4 SULFATE ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.8；298 K；50% AMMONIUM SULFATE, 0.1M TRIS, pH 7.80, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 1.85 Å R-free 0.218 |
| 1T7C CRYSTAL STRUCTURE OF THE P1 GLU BPTI MUTANT- BOVINE CHYMOTRYPSIN COMPLEX Deposited 2004-05-09 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 3 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain B
36–93（58 aa）
Chain D
36–93（58 aa）
|
Mutation：K50E, M87L Mutation：K50E, M87L | SO4 SULFATE ION × 9 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.8；298 K；50% AMMONIUM SULFATE, 0.1M TRIS, pH 7.80, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 1.85 Å R-free 0.218 |
| 1T7C CRYSTAL STRUCTURE OF THE P1 GLU BPTI MUTANT- BOVINE CHYMOTRYPSIN COMPLEX Deposited 2004-05-09 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 4 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain B
36–93（58 aa）
Chain D
36–93（58 aa）
|
Mutation：K50E, M87L Mutation：K50E, M87L | SO4 SULFATE ION × 9 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.8；298 K；50% AMMONIUM SULFATE, 0.1M TRIS, pH 7.80, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 1.85 Å R-free 0.218 |
| 1T7C CRYSTAL STRUCTURE OF THE P1 GLU BPTI MUTANT- BOVINE CHYMOTRYPSIN COMPLEX Deposited 2004-05-09 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 5 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain B
36–93（58 aa）
|
Mutation：K50E, M87L | SO4 SULFATE ION × 5 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.8；298 K；50% AMMONIUM SULFATE, 0.1M TRIS, pH 7.80, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 1.85 Å R-free 0.218 |
| 1T7C CRYSTAL STRUCTURE OF THE P1 GLU BPTI MUTANT- BOVINE CHYMOTRYPSIN COMPLEX Deposited 2004-05-09 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 6 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain D
36–93（58 aa）
|
Mutation：K50E, M87L | SO4 SULFATE ION × 4 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.8；298 K；50% AMMONIUM SULFATE, 0.1M TRIS, pH 7.80, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 1.85 Å R-free 0.218 |
| 1T8L CRYSTAL STRUCTURE OF THE P1 MET BPTI MUTANT- BOVINE CHYMOTRYPSIN COMPLEX Deposited 2004-05-13 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain B
36–93（58 aa）
|
Mutation：K50M, M87L | SO4 SULFATE ION × 7 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.8；298 K；50% AMMONIUM SULFATE, 0.1M TRIS, pH 7.80, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 1.75 Å R-free 0.195 |
| 1T8L CRYSTAL STRUCTURE OF THE P1 MET BPTI MUTANT- BOVINE CHYMOTRYPSIN COMPLEX Deposited 2004-05-13 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain D
36–93（58 aa）
|
Mutation：K50M, M87L | SO4 SULFATE ION × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.8；298 K；50% AMMONIUM SULFATE, 0.1M TRIS, pH 7.80, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 1.75 Å R-free 0.195 |
| 1T8L CRYSTAL STRUCTURE OF THE P1 MET BPTI MUTANT- BOVINE CHYMOTRYPSIN COMPLEX Deposited 2004-05-13 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 3 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain B
36–93（58 aa）
Chain D
36–93（58 aa）
|
Mutation：K50M, M87L Mutation：K50M, M87L | SO4 SULFATE ION × 10 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.8；298 K；50% AMMONIUM SULFATE, 0.1M TRIS, pH 7.80, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 1.75 Å R-free 0.195 |
| 1T8L CRYSTAL STRUCTURE OF THE P1 MET BPTI MUTANT- BOVINE CHYMOTRYPSIN COMPLEX Deposited 2004-05-13 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 4 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain B
36–93（58 aa）
Chain D
36–93（58 aa）
|
Mutation：K50M, M87L Mutation：K50M, M87L | SO4 SULFATE ION × 10 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.8；298 K；50% AMMONIUM SULFATE, 0.1M TRIS, pH 7.80, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 1.75 Å R-free 0.195 |
| 1T8L CRYSTAL STRUCTURE OF THE P1 MET BPTI MUTANT- BOVINE CHYMOTRYPSIN COMPLEX Deposited 2004-05-13 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 5 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain B
36–93（58 aa）
|
Mutation：K50M, M87L | SO4 SULFATE ION × 6 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.8；298 K；50% AMMONIUM SULFATE, 0.1M TRIS, pH 7.80, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 1.75 Å R-free 0.195 |
| 1T8L CRYSTAL STRUCTURE OF THE P1 MET BPTI MUTANT- BOVINE CHYMOTRYPSIN COMPLEX Deposited 2004-05-13 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 6 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain D
36–93（58 aa）
|
Mutation：K50M, M87L | SO4 SULFATE ION × 4 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.8；298 K；50% AMMONIUM SULFATE, 0.1M TRIS, pH 7.80, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 1.75 Å R-free 0.195 |
| 1T8M CRYSTAL STRUCTURE OF THE P1 HIS BPTI MUTANT- BOVINE CHYMOTRYPSIN COMPLEX Deposited 2004-05-13 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain B
36–93（58 aa）
|
Not recorded | SO4 SULFATE ION × 7 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.8；298 K；50% AMMONIUM SULFATE, 0.1M TRIS, pH 7.80, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 1.80 Å R-free 0.215 |
| 1T8M CRYSTAL STRUCTURE OF THE P1 HIS BPTI MUTANT- BOVINE CHYMOTRYPSIN COMPLEX Deposited 2004-05-13 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain D
36–93（58 aa）
|
Not recorded | SO4 SULFATE ION × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.8；298 K；50% AMMONIUM SULFATE, 0.1M TRIS, pH 7.80, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 1.80 Å R-free 0.215 |
| 1T8M CRYSTAL STRUCTURE OF THE P1 HIS BPTI MUTANT- BOVINE CHYMOTRYPSIN COMPLEX Deposited 2004-05-13 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 3 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain B
36–93（58 aa）
Chain D
36–93（58 aa）
|
Not recorded | SO4 SULFATE ION × 10 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.8；298 K；50% AMMONIUM SULFATE, 0.1M TRIS, pH 7.80, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 1.80 Å R-free 0.215 |
| 1T8M CRYSTAL STRUCTURE OF THE P1 HIS BPTI MUTANT- BOVINE CHYMOTRYPSIN COMPLEX Deposited 2004-05-13 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 4 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain B
36–93（58 aa）
Chain D
36–93（58 aa）
|
Not recorded | SO4 SULFATE ION × 10 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.8；298 K；50% AMMONIUM SULFATE, 0.1M TRIS, pH 7.80, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 1.80 Å R-free 0.215 |
| 1T8M CRYSTAL STRUCTURE OF THE P1 HIS BPTI MUTANT- BOVINE CHYMOTRYPSIN COMPLEX Deposited 2004-05-13 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 5 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain B
36–93（58 aa）
|
Not recorded | SO4 SULFATE ION × 6 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.8；298 K；50% AMMONIUM SULFATE, 0.1M TRIS, pH 7.80, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 1.80 Å R-free 0.215 |
| 1T8M CRYSTAL STRUCTURE OF THE P1 HIS BPTI MUTANT- BOVINE CHYMOTRYPSIN COMPLEX Deposited 2004-05-13 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 6 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain D
36–93（58 aa）
|
Not recorded | SO4 SULFATE ION × 4 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.8；298 K；50% AMMONIUM SULFATE, 0.1M TRIS, pH 7.80, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 1.80 Å R-free 0.215 |
| 1T8N CRYSTAL STRUCTURE OF THE P1 THR BPTI MUTANT- BOVINE CHYMOTRYPSIN COMPLEX Deposited 2004-05-13 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain B
36–93（58 aa）
|
Not recorded | SO4 SULFATE ION × 6 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.8；298 K；50% AMMONIUM SULFATE, 0.1M TRIS, pH 7.8, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 1.75 Å R-free 0.214 |
| 1T8N CRYSTAL STRUCTURE OF THE P1 THR BPTI MUTANT- BOVINE CHYMOTRYPSIN COMPLEX Deposited 2004-05-13 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain D
36–93（58 aa）
|
Not recorded | SO4 SULFATE ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.8；298 K；50% AMMONIUM SULFATE, 0.1M TRIS, pH 7.8, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 1.75 Å R-free 0.214 |
| 1T8N CRYSTAL STRUCTURE OF THE P1 THR BPTI MUTANT- BOVINE CHYMOTRYPSIN COMPLEX Deposited 2004-05-13 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 3 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain B
36–93（58 aa）
Chain D
36–93（58 aa）
|
Not recorded | SO4 SULFATE ION × 8 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.8；298 K；50% AMMONIUM SULFATE, 0.1M TRIS, pH 7.8, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 1.75 Å R-free 0.214 |
| 1T8N CRYSTAL STRUCTURE OF THE P1 THR BPTI MUTANT- BOVINE CHYMOTRYPSIN COMPLEX Deposited 2004-05-13 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 4 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain B
36–93（58 aa）
Chain D
36–93（58 aa）
|
Not recorded | SO4 SULFATE ION × 8 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.8；298 K；50% AMMONIUM SULFATE, 0.1M TRIS, pH 7.8, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 1.75 Å R-free 0.214 |
| 1T8N CRYSTAL STRUCTURE OF THE P1 THR BPTI MUTANT- BOVINE CHYMOTRYPSIN COMPLEX Deposited 2004-05-13 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 5 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain B
36–93（58 aa）
|
Not recorded | SO4 SULFATE ION × 5 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.8；298 K；50% AMMONIUM SULFATE, 0.1M TRIS, pH 7.8, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 1.75 Å R-free 0.214 |
| 1T8N CRYSTAL STRUCTURE OF THE P1 THR BPTI MUTANT- BOVINE CHYMOTRYPSIN COMPLEX Deposited 2004-05-13 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 6 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain D
36–93（58 aa）
|
Not recorded | SO4 SULFATE ION × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.8；298 K；50% AMMONIUM SULFATE, 0.1M TRIS, pH 7.8, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 1.75 Å R-free 0.214 |
| 1T8O CRYSTAL STRUCTURE OF THE P1 TRP BPTI MUTANT- BOVINE CHYMOTRYPSIN COMPLEX Deposited 2004-05-13 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain B
36–93（58 aa）
|
Not recorded | SO4 SULFATE ION × 7 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.8；298 K；50% AMMONIUM SULFATE, 0.1M TRIS, pH 7.80, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 1.70 Å R-free 0.207 |
| 1T8O CRYSTAL STRUCTURE OF THE P1 TRP BPTI MUTANT- BOVINE CHYMOTRYPSIN COMPLEX Deposited 2004-05-13 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain D
36–93（58 aa）
|
Not recorded | SO4 SULFATE ION × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.8；298 K；50% AMMONIUM SULFATE, 0.1M TRIS, pH 7.80, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 1.70 Å R-free 0.207 |
| 1T8O CRYSTAL STRUCTURE OF THE P1 TRP BPTI MUTANT- BOVINE CHYMOTRYPSIN COMPLEX Deposited 2004-05-13 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 3 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain B
36–93（58 aa）
Chain D
36–93（58 aa）
|
Not recorded | SO4 SULFATE ION × 10 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.8；298 K；50% AMMONIUM SULFATE, 0.1M TRIS, pH 7.80, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 1.70 Å R-free 0.207 |
| 1T8O CRYSTAL STRUCTURE OF THE P1 TRP BPTI MUTANT- BOVINE CHYMOTRYPSIN COMPLEX Deposited 2004-05-13 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 4 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain B
36–93（58 aa）
Chain D
36–93（58 aa）
|
Not recorded | SO4 SULFATE ION × 10 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.8；298 K；50% AMMONIUM SULFATE, 0.1M TRIS, pH 7.80, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 1.70 Å R-free 0.207 |
| 1T8O CRYSTAL STRUCTURE OF THE P1 TRP BPTI MUTANT- BOVINE CHYMOTRYPSIN COMPLEX Deposited 2004-05-13 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 5 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain B
36–93（58 aa）
|
Not recorded | SO4 SULFATE ION × 6 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.8；298 K；50% AMMONIUM SULFATE, 0.1M TRIS, pH 7.80, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 1.70 Å R-free 0.207 |
| 1T8O CRYSTAL STRUCTURE OF THE P1 TRP BPTI MUTANT- BOVINE CHYMOTRYPSIN COMPLEX Deposited 2004-05-13 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 6 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain D
36–93（58 aa）
|
Not recorded | SO4 SULFATE ION × 4 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.8；298 K；50% AMMONIUM SULFATE, 0.1M TRIS, pH 7.80, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 1.70 Å R-free 0.207 |
| 1TPA THE GEOMETRY OF THE REACTIVE SITE AND OF THE PEPTIDE GROUPS IN TRYPSIN, TRYPSINOGEN AND ITS COMPLEXES WITH INHIBITORS Deposited 1982-09-27 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain I
36–93（58 aa）
|
Not recorded | CA CALCIUM ION × 1 | X-RAY DIFFRACTION mmCIF provides none of the parsed conditions | Resolution 1.90 Å |
| 1TPA THE GEOMETRY OF THE REACTIVE SITE AND OF THE PEPTIDE GROUPS IN TRYPSIN, TRYPSINOGEN AND ITS COMPLEXES WITH INHIBITORS Deposited 1982-09-27 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 8 PDB declaration: octameric |
Chain I
36–93（58 aa）
|
Not recorded | CA CALCIUM ION × 4 | X-RAY DIFFRACTION mmCIF provides none of the parsed conditions | Resolution 1.90 Å |
| 1UUA Solution structure of a truncated bovine pancreatic trypsin inhibitor, 3-58 BPTI. Deposited 2003-12-17 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
38–93（56 aa）
Fragment：PANCREATIC TRYPSIN INHIBITOR, RESIDUES 38-93
|
Not recorded | No recorded non-water small molecule |
SOLUTION NMR
NMR measurement conditions
pH 4.6；303 K；Ionic strength (raw mmCIF value) 0；Pressure 1
|
Resolution not provided |
| 1UUB Solution structure of a truncated bovine pancreatic trypsin inhibitor mutant, 3-58 BPTI (K15R, R17A, R42S) Deposited 2003-12-17 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
38–93（56 aa）
Fragment：PANCREATIC TRYPSIN INHIBITOR, RESIDUES 38-93
|
Mutation：YES | No recorded non-water small molecule |
SOLUTION NMR
NMR measurement conditions
pH 4.6；303 K；Ionic strength (raw mmCIF value) 0；Pressure 1
|
Resolution not provided |
| 1YKT Trypsin/Bpti complex mutant Deposited 2005-01-18 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain B
36–91（56 aa）
|
Not recorded | CA CALCIUM ION × 1 SO4 SULFATE ION × 2 | X-RAY DIFFRACTION mmCIF provides none of the parsed conditions | Resolution 1.70 Å R-free 0.212 |
| 1YLC Trypsin/BPTI complex mutant Deposited 2005-01-19 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain B
36–91（56 aa）
|
Mutation：5,30,51,55 ABU Non-standard monomer：Yes (specific site not provided by mmCIF) | CA CALCIUM ION × 1 SO4 SULFATE ION × 2 | X-RAY DIFFRACTION mmCIF provides none of the parsed conditions | Resolution 1.70 Å R-free 0.224 |
| 1YLD Trypsin/BPTI complex mutant Deposited 2005-01-19 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain B
36–91（56 aa）
|
Mutation：5,30,51,55 ABU K26P, A27D Non-standard monomer：Yes (specific site not provided by mmCIF) | CA CALCIUM ION × 1 SO4 SULFATE ION × 2 | X-RAY DIFFRACTION mmCIF provides none of the parsed conditions | Resolution 1.70 Å R-free 0.217 |
| 2FI3 Crystal structure of a BPTI variant (Cys14->Ser, Cys38->Ser) in complex with trypsin Deposited 2005-12-27 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain I
36–93（58 aa）
|
Mutation：C14S, C38S | NA SODIUM ION × 1 CA CALCIUM ION × 2 SO4 SULFATE ION × 8 EDO 1,2-ETHANEDIOL × 6 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；296 K；1.75 M ammonium sulfate, 0.1 M HEPES, 0.02% sodium azide, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 296K
|
Resolution 1.58 Å R-free 0.218 |
| 2FI3 Crystal structure of a BPTI variant (Cys14->Ser, Cys38->Ser) in complex with trypsin Deposited 2005-12-27 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 8 PDB declaration: octameric |
Chain I
36–93（58 aa）
|
Mutation：C14S, C38S | NA SODIUM ION × 4 CA CALCIUM ION × 8 SO4 SULFATE ION × 32 EDO 1,2-ETHANEDIOL × 24 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；296 K；1.75 M ammonium sulfate, 0.1 M HEPES, 0.02% sodium azide, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 296K
|
Resolution 1.58 Å R-free 0.218 |
| 2FI3 Crystal structure of a BPTI variant (Cys14->Ser, Cys38->Ser) in complex with trypsin Deposited 2005-12-27 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 3 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain I
36–93（58 aa）
|
Mutation：C14S, C38S | NA SODIUM ION × 2 CA CALCIUM ION × 4 SO4 SULFATE ION × 16 EDO 1,2-ETHANEDIOL × 12 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；296 K；1.75 M ammonium sulfate, 0.1 M HEPES, 0.02% sodium azide, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 296K
|
Resolution 1.58 Å R-free 0.218 |
| 2FI3 Crystal structure of a BPTI variant (Cys14->Ser, Cys38->Ser) in complex with trypsin Deposited 2005-12-27 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 4 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain I
36–93（58 aa）
|
Mutation：C14S, C38S | NA SODIUM ION × 2 CA CALCIUM ION × 4 SO4 SULFATE ION × 16 EDO 1,2-ETHANEDIOL × 12 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；296 K；1.75 M ammonium sulfate, 0.1 M HEPES, 0.02% sodium azide, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 296K
|
Resolution 1.58 Å R-free 0.218 |
| 2FI3 Crystal structure of a BPTI variant (Cys14->Ser, Cys38->Ser) in complex with trypsin Deposited 2005-12-27 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 5 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain I
36–93（58 aa）
|
Mutation：C14S, C38S | NA SODIUM ION × 2 CA CALCIUM ION × 4 SO4 SULFATE ION × 16 EDO 1,2-ETHANEDIOL × 12 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；296 K；1.75 M ammonium sulfate, 0.1 M HEPES, 0.02% sodium azide, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 296K
|
Resolution 1.58 Å R-free 0.218 |
| 2FI3 Crystal structure of a BPTI variant (Cys14->Ser, Cys38->Ser) in complex with trypsin Deposited 2005-12-27 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 6 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain I
36–93（58 aa）
|
Mutation：C14S, C38S | NA SODIUM ION × 2 CA CALCIUM ION × 4 SO4 SULFATE ION × 16 EDO 1,2-ETHANEDIOL × 12 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；296 K；1.75 M ammonium sulfate, 0.1 M HEPES, 0.02% sodium azide, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 296K
|
Resolution 1.58 Å R-free 0.218 |
| 2FI3 Crystal structure of a BPTI variant (Cys14->Ser, Cys38->Ser) in complex with trypsin Deposited 2005-12-27 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 7 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain I
36–93（58 aa）
|
Mutation：C14S, C38S | NA SODIUM ION × 1 CA CALCIUM ION × 2 SO4 SULFATE ION × 8 EDO 1,2-ETHANEDIOL × 6 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；296 K；1.75 M ammonium sulfate, 0.1 M HEPES, 0.02% sodium azide, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 296K
|
Resolution 1.58 Å R-free 0.218 |
| 2FI4 Crystal structure of a BPTI variant (Cys14->Ser) in complex with trypsin Deposited 2005-12-27 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain I
36–93（58 aa）
|
Mutation：C14S | NA SODIUM ION × 1 CA CALCIUM ION × 2 SO4 SULFATE ION × 8 EDO 1,2-ETHANEDIOL × 6 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；296 K；2 M ammonium sulfate, 0.1 M HEPES, 0.02% sodium azide , pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 296K
|
Resolution 1.58 Å R-free 0.235 |
| 2FI4 Crystal structure of a BPTI variant (Cys14->Ser) in complex with trypsin Deposited 2005-12-27 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 8 PDB declaration: octameric |
Chain I
36–93（58 aa）
|
Mutation：C14S | NA SODIUM ION × 4 CA CALCIUM ION × 8 SO4 SULFATE ION × 32 EDO 1,2-ETHANEDIOL × 24 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；296 K；2 M ammonium sulfate, 0.1 M HEPES, 0.02% sodium azide , pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 296K
|
Resolution 1.58 Å R-free 0.235 |
| 2FI4 Crystal structure of a BPTI variant (Cys14->Ser) in complex with trypsin Deposited 2005-12-27 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 3 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain I
36–93（58 aa）
|
Mutation：C14S | NA SODIUM ION × 2 CA CALCIUM ION × 4 SO4 SULFATE ION × 16 EDO 1,2-ETHANEDIOL × 12 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；296 K；2 M ammonium sulfate, 0.1 M HEPES, 0.02% sodium azide , pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 296K
|
Resolution 1.58 Å R-free 0.235 |
| 2FI4 Crystal structure of a BPTI variant (Cys14->Ser) in complex with trypsin Deposited 2005-12-27 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 4 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain I
36–93（58 aa）
|
Mutation：C14S | NA SODIUM ION × 2 CA CALCIUM ION × 4 SO4 SULFATE ION × 16 EDO 1,2-ETHANEDIOL × 12 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；296 K；2 M ammonium sulfate, 0.1 M HEPES, 0.02% sodium azide , pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 296K
|
Resolution 1.58 Å R-free 0.235 |
| 2FI4 Crystal structure of a BPTI variant (Cys14->Ser) in complex with trypsin Deposited 2005-12-27 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 5 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain I
36–93（58 aa）
|
Mutation：C14S | NA SODIUM ION × 2 CA CALCIUM ION × 4 SO4 SULFATE ION × 16 EDO 1,2-ETHANEDIOL × 12 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；296 K；2 M ammonium sulfate, 0.1 M HEPES, 0.02% sodium azide , pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 296K
|
Resolution 1.58 Å R-free 0.235 |
| 2FI4 Crystal structure of a BPTI variant (Cys14->Ser) in complex with trypsin Deposited 2005-12-27 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 6 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain I
36–93（58 aa）
|
Mutation：C14S | NA SODIUM ION × 2 CA CALCIUM ION × 4 SO4 SULFATE ION × 16 EDO 1,2-ETHANEDIOL × 12 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；296 K；2 M ammonium sulfate, 0.1 M HEPES, 0.02% sodium azide , pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 296K
|
Resolution 1.58 Å R-free 0.235 |
| 2FI4 Crystal structure of a BPTI variant (Cys14->Ser) in complex with trypsin Deposited 2005-12-27 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 7 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain I
36–93（58 aa）
|
Mutation：C14S | NA SODIUM ION × 1 CA CALCIUM ION × 2 SO4 SULFATE ION × 8 EDO 1,2-ETHANEDIOL × 6 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；296 K；2 M ammonium sulfate, 0.1 M HEPES, 0.02% sodium azide , pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 296K
|
Resolution 1.58 Å R-free 0.235 |
| 2FI5 Crystal structure of a BPTI variant (Cys38->Ser) in complex with trypsin Deposited 2005-12-27 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain I
36–93（58 aa）
|
Mutation：C38S | NA SODIUM ION × 1 CA CALCIUM ION × 2 SO4 SULFATE ION × 8 EDO 1,2-ETHANEDIOL × 7 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；296 K；1.5 M ammonium sulfate, 0.1 M HEPES, 0.02% sodium azide, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 296K
|
Resolution 1.58 Å R-free 0.223 |
| 2FI5 Crystal structure of a BPTI variant (Cys38->Ser) in complex with trypsin Deposited 2005-12-27 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 8 PDB declaration: octameric |
Chain I
36–93（58 aa）
|
Mutation：C38S | NA SODIUM ION × 4 CA CALCIUM ION × 8 SO4 SULFATE ION × 32 EDO 1,2-ETHANEDIOL × 28 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；296 K；1.5 M ammonium sulfate, 0.1 M HEPES, 0.02% sodium azide, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 296K
|
Resolution 1.58 Å R-free 0.223 |
| 2FI5 Crystal structure of a BPTI variant (Cys38->Ser) in complex with trypsin Deposited 2005-12-27 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 3 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain I
36–93（58 aa）
|
Mutation：C38S | NA SODIUM ION × 2 CA CALCIUM ION × 4 SO4 SULFATE ION × 16 EDO 1,2-ETHANEDIOL × 14 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；296 K；1.5 M ammonium sulfate, 0.1 M HEPES, 0.02% sodium azide, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 296K
|
Resolution 1.58 Å R-free 0.223 |
| 2FI5 Crystal structure of a BPTI variant (Cys38->Ser) in complex with trypsin Deposited 2005-12-27 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 4 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain I
36–93（58 aa）
|
Mutation：C38S | NA SODIUM ION × 2 CA CALCIUM ION × 4 SO4 SULFATE ION × 16 EDO 1,2-ETHANEDIOL × 14 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；296 K；1.5 M ammonium sulfate, 0.1 M HEPES, 0.02% sodium azide, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 296K
|
Resolution 1.58 Å R-free 0.223 |
| 2FI5 Crystal structure of a BPTI variant (Cys38->Ser) in complex with trypsin Deposited 2005-12-27 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 5 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain I
36–93（58 aa）
|
Mutation：C38S | NA SODIUM ION × 2 CA CALCIUM ION × 4 SO4 SULFATE ION × 16 EDO 1,2-ETHANEDIOL × 14 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；296 K；1.5 M ammonium sulfate, 0.1 M HEPES, 0.02% sodium azide, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 296K
|
Resolution 1.58 Å R-free 0.223 |
| 2FI5 Crystal structure of a BPTI variant (Cys38->Ser) in complex with trypsin Deposited 2005-12-27 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 6 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain I
36–93（58 aa）
|
Mutation：C38S | NA SODIUM ION × 2 CA CALCIUM ION × 4 SO4 SULFATE ION × 16 EDO 1,2-ETHANEDIOL × 14 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；296 K；1.5 M ammonium sulfate, 0.1 M HEPES, 0.02% sodium azide, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 296K
|
Resolution 1.58 Å R-free 0.223 |
| 2FI5 Crystal structure of a BPTI variant (Cys38->Ser) in complex with trypsin Deposited 2005-12-27 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 7 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain I
36–93（58 aa）
|
Mutation：C38S | NA SODIUM ION × 1 CA CALCIUM ION × 2 SO4 SULFATE ION × 8 EDO 1,2-ETHANEDIOL × 7 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；296 K；1.5 M ammonium sulfate, 0.1 M HEPES, 0.02% sodium azide, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 296K
|
Resolution 1.58 Å R-free 0.223 |
| 2FTL Crystal structure of trypsin complexed with BPTI at 100K Deposited 2006-01-24 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain I
36–93（58 aa）
Fragment：BPTI
|
Not recorded | NA SODIUM ION × 1 CA CALCIUM ION × 2 SO4 SULFATE ION × 8 EDO 1,2-ETHANEDIOL × 6 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；298 K；10 mM calcium chloride, 0.1 M HEPES, 1.8 M ammonium sulfate, 0.02% sodium azide; 20% ethylene glycol added upon harvesting and prior to freezing, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 1.62 Å R-free 0.227 |
| 2FTL Crystal structure of trypsin complexed with BPTI at 100K Deposited 2006-01-24 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 8 PDB declaration: octameric |
Chain I
36–93（58 aa）
Fragment：BPTI
|
Not recorded | NA SODIUM ION × 4 CA CALCIUM ION × 8 SO4 SULFATE ION × 32 EDO 1,2-ETHANEDIOL × 24 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；298 K；10 mM calcium chloride, 0.1 M HEPES, 1.8 M ammonium sulfate, 0.02% sodium azide; 20% ethylene glycol added upon harvesting and prior to freezing, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 1.62 Å R-free 0.227 |
| 2FTL Crystal structure of trypsin complexed with BPTI at 100K Deposited 2006-01-24 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 3 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain I
36–93（58 aa）
Fragment：BPTI
|
Not recorded | NA SODIUM ION × 2 CA CALCIUM ION × 4 SO4 SULFATE ION × 16 EDO 1,2-ETHANEDIOL × 12 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；298 K；10 mM calcium chloride, 0.1 M HEPES, 1.8 M ammonium sulfate, 0.02% sodium azide; 20% ethylene glycol added upon harvesting and prior to freezing, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 1.62 Å R-free 0.227 |
| 2FTL Crystal structure of trypsin complexed with BPTI at 100K Deposited 2006-01-24 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 4 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain I
36–93（58 aa）
Fragment：BPTI
|
Not recorded | NA SODIUM ION × 2 CA CALCIUM ION × 4 SO4 SULFATE ION × 16 EDO 1,2-ETHANEDIOL × 12 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；298 K；10 mM calcium chloride, 0.1 M HEPES, 1.8 M ammonium sulfate, 0.02% sodium azide; 20% ethylene glycol added upon harvesting and prior to freezing, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 1.62 Å R-free 0.227 |
| 2FTL Crystal structure of trypsin complexed with BPTI at 100K Deposited 2006-01-24 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 5 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain I
36–93（58 aa）
Fragment：BPTI
|
Not recorded | NA SODIUM ION × 2 CA CALCIUM ION × 4 SO4 SULFATE ION × 16 EDO 1,2-ETHANEDIOL × 12 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；298 K；10 mM calcium chloride, 0.1 M HEPES, 1.8 M ammonium sulfate, 0.02% sodium azide; 20% ethylene glycol added upon harvesting and prior to freezing, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 1.62 Å R-free 0.227 |
| 2FTM Crystal structure of trypsin complexed with the BPTI variant (Tyr35->Gly) Deposited 2006-01-24 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain B
36–93（58 aa）
|
Mutation：Y35G | NA SODIUM ION × 1 SO4 SULFATE ION × 9 CA CALCIUM ION × 2 EDO 1,2-ETHANEDIOL × 4 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8；298 K；10 mM calcium chloride, 0.1 M HEPES, 2.0 M ammonium sulfate, 0.02% sodium azide; 20% ethylene glycol added upon harvesting and prior to freezing, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 1.65 Å R-free 0.220 |
| 2FTM Crystal structure of trypsin complexed with the BPTI variant (Tyr35->Gly) Deposited 2006-01-24 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 8 PDB declaration: octameric |
Chain B
36–93（58 aa）
|
Mutation：Y35G | NA SODIUM ION × 4 SO4 SULFATE ION × 36 CA CALCIUM ION × 8 EDO 1,2-ETHANEDIOL × 16 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8；298 K；10 mM calcium chloride, 0.1 M HEPES, 2.0 M ammonium sulfate, 0.02% sodium azide; 20% ethylene glycol added upon harvesting and prior to freezing, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 1.65 Å R-free 0.220 |
| 2FTM Crystal structure of trypsin complexed with the BPTI variant (Tyr35->Gly) Deposited 2006-01-24 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 3 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain B
36–93（58 aa）
|
Mutation：Y35G | NA SODIUM ION × 2 SO4 SULFATE ION × 18 CA CALCIUM ION × 4 EDO 1,2-ETHANEDIOL × 8 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8；298 K；10 mM calcium chloride, 0.1 M HEPES, 2.0 M ammonium sulfate, 0.02% sodium azide; 20% ethylene glycol added upon harvesting and prior to freezing, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 1.65 Å R-free 0.220 |
| 2FTM Crystal structure of trypsin complexed with the BPTI variant (Tyr35->Gly) Deposited 2006-01-24 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 4 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain B
36–93（58 aa）
|
Mutation：Y35G | NA SODIUM ION × 2 SO4 SULFATE ION × 18 CA CALCIUM ION × 4 EDO 1,2-ETHANEDIOL × 8 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8；298 K；10 mM calcium chloride, 0.1 M HEPES, 2.0 M ammonium sulfate, 0.02% sodium azide; 20% ethylene glycol added upon harvesting and prior to freezing, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 1.65 Å R-free 0.220 |
| 2FTM Crystal structure of trypsin complexed with the BPTI variant (Tyr35->Gly) Deposited 2006-01-24 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 5 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain B
36–93（58 aa）
|
Mutation：Y35G | NA SODIUM ION × 2 SO4 SULFATE ION × 18 CA CALCIUM ION × 4 EDO 1,2-ETHANEDIOL × 8 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8；298 K；10 mM calcium chloride, 0.1 M HEPES, 2.0 M ammonium sulfate, 0.02% sodium azide; 20% ethylene glycol added upon harvesting and prior to freezing, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 1.65 Å R-free 0.220 |
| 2FTM Crystal structure of trypsin complexed with the BPTI variant (Tyr35->Gly) Deposited 2006-01-24 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 6 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain B
36–93（58 aa）
|
Mutation：Y35G | NA SODIUM ION × 1 SO4 SULFATE ION × 9 CA CALCIUM ION × 2 EDO 1,2-ETHANEDIOL × 4 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8；298 K；10 mM calcium chloride, 0.1 M HEPES, 2.0 M ammonium sulfate, 0.02% sodium azide; 20% ethylene glycol added upon harvesting and prior to freezing, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 1.65 Å R-free 0.220 |
| 2HEX DECAMERS OBSERVED IN THE CRYSTALS OF BOVINE PANCREATIC TRYPSIN INHIBITOR Deposited 1998-08-01 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 5 PDB declaration: pentameric |
Chain A
36–93（58 aa）
Chain B
36–93（58 aa）
Chain C
36–93（58 aa）
Chain D
36–93（58 aa）
Chain E
36–93（58 aa）
|
Not recorded | SO4 SULFATE ION × 8 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.5；USING SOLUTION #32 IN CRYSTAL SCREEN I (HAMPTON RESEARCH), pH 6.5, VAPOR DIFFUSION, HANGING DROP
|
Resolution 2.10 Å R-free 0.288 |
| 2HEX DECAMERS OBSERVED IN THE CRYSTALS OF BOVINE PANCREATIC TRYPSIN INHIBITOR Deposited 1998-08-01 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 2 Protein homooligomer Homooligomer；Protein × 10 PDB declaration: decameric |
Chain A
36–93（58 aa）
Chain B
36–93（58 aa）
Chain C
36–93（58 aa）
Chain D
36–93（58 aa）
Chain E
36–93（58 aa）
|
Not recorded | SO4 SULFATE ION × 16 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.5；USING SOLUTION #32 IN CRYSTAL SCREEN I (HAMPTON RESEARCH), pH 6.5, VAPOR DIFFUSION, HANGING DROP
|
Resolution 2.10 Å R-free 0.288 |
| 2IJO Crystal Structure of the West Nile virus NS2B-NS3 protease complexed with bovine pancreatic trypsin inhibitor Deposited 2006-09-29 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric |
Chain I
36–93（58 aa）
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.5；298 K；20% PEG 8000, 0.1M TRIS-HCL, 0.2M SODIUM CHLORIDE, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 2.30 Å R-free 0.264 |
| 2KAI REFINED 2.5 ANGSTROMS X-RAY CRYSTAL STRUCTURE OF THE COMPLEX FORMED BY PORCINE KALLIKREIN A AND THE BOVINE PANCREATIC TRYPSIN INHIBITOR. CRYSTALLIZATION, PATTERSON SEARCH, STRUCTURE DETERMINATION, REFINEMENT, STRUCTURE AND COMPARISON WITH ITS COMPONENTS AND WITH THE BOVINE TRYPSIN-PANCREATIC TRYPSIN INHIBITOR COMPLEX Deposited 1984-05-21 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric |
Chain I
36–93（58 aa）
|
Not recorded | No recorded non-water small molecule | X-RAY DIFFRACTION mmCIF provides none of the parsed conditions | Resolution 2.50 Å |
| 2PTC THE GEOMETRY OF THE REACTIVE SITE AND OF THE PEPTIDE GROUPS IN TRYPSIN, TRYPSINOGEN AND ITS COMPLEXES WITH INHIBITORS Deposited 1982-09-27 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain I
36–93（58 aa）
|
Not recorded | CA CALCIUM ION × 1 | X-RAY DIFFRACTION mmCIF provides none of the parsed conditions | Resolution 1.90 Å |
| 2PTC THE GEOMETRY OF THE REACTIVE SITE AND OF THE PEPTIDE GROUPS IN TRYPSIN, TRYPSINOGEN AND ITS COMPLEXES WITH INHIBITORS Deposited 1982-09-27 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 8 PDB declaration: octameric |
Chain I
36–93（58 aa）
|
Not recorded | CA CALCIUM ION × 4 | X-RAY DIFFRACTION mmCIF provides none of the parsed conditions | Resolution 1.90 Å |
| 2R9P Human mesotrypsin complexed with bovine pancreatic trypsin inhibitor(BPTI) Deposited 2007-09-13 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain E
36–93（58 aa）
Chain G
36–93（58 aa）
|
Not recorded | SO4 SULFATE ION × 8 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 5.3；298 K；1.6M ammonium sulfate, pH 5.3, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K
|
Resolution 1.40 Å R-free 0.224 |
| 2R9P Human mesotrypsin complexed with bovine pancreatic trypsin inhibitor(BPTI) Deposited 2007-09-13 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain F
36–93（58 aa）
Chain I
36–93（58 aa）
|
Not recorded | SO4 SULFATE ION × 12 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 5.3；298 K；1.6M ammonium sulfate, pH 5.3, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K
|
Resolution 1.40 Å R-free 0.224 |
| 2RA3 Human cationic trypsin complexed with bovine pancreatic trypsin inhibitor (BPTI) Deposited 2007-09-14 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain C
36–93（58 aa）
Chain I
36–93（58 aa）
|
Not recorded | CA CALCIUM ION × 2 SO4 SULFATE ION × 24 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.5；298 K；0.1M Tris hydrochloride pH 8.5, 1.6M ammonium sulfate, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K
|
Resolution 1.46 Å R-free 0.178 |
| 2RA3 Human cationic trypsin complexed with bovine pancreatic trypsin inhibitor (BPTI) Deposited 2007-09-14 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 8 PDB declaration: octameric |
Chain C
36–93（58 aa）
Chain I
36–93（58 aa）
|
Not recorded | CA CALCIUM ION × 4 SO4 SULFATE ION × 48 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.5；298 K；0.1M Tris hydrochloride pH 8.5, 1.6M ammonium sulfate, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K
|
Resolution 1.46 Å R-free 0.178 |
| 2TGP THE GEOMETRY OF THE REACTIVE SITE AND OF THE PEPTIDE GROUPS IN TRYPSIN, TRYPSINOGEN AND ITS COMPLEXES WITH INHIBITORS Deposited 1982-09-27 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain I
36–93（58 aa）
|
Not recorded | CA CALCIUM ION × 1 SO4 SULFATE ION × 2 | X-RAY DIFFRACTION mmCIF provides none of the parsed conditions | Resolution 1.90 Å |
| 2TGP THE GEOMETRY OF THE REACTIVE SITE AND OF THE PEPTIDE GROUPS IN TRYPSIN, TRYPSINOGEN AND ITS COMPLEXES WITH INHIBITORS Deposited 1982-09-27 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 8 PDB declaration: octameric |
Chain I
36–93（58 aa）
|
Not recorded | CA CALCIUM ION × 4 SO4 SULFATE ION × 8 | X-RAY DIFFRACTION mmCIF provides none of the parsed conditions | Resolution 1.90 Å |
| 2TGP THE GEOMETRY OF THE REACTIVE SITE AND OF THE PEPTIDE GROUPS IN TRYPSIN, TRYPSINOGEN AND ITS COMPLEXES WITH INHIBITORS Deposited 1982-09-27 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 3 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain I
36–93（58 aa）
|
Not recorded | CA CALCIUM ION × 2 SO4 SULFATE ION × 4 | X-RAY DIFFRACTION mmCIF provides none of the parsed conditions | Resolution 1.90 Å |
| 2TGP THE GEOMETRY OF THE REACTIVE SITE AND OF THE PEPTIDE GROUPS IN TRYPSIN, TRYPSINOGEN AND ITS COMPLEXES WITH INHIBITORS Deposited 1982-09-27 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 4 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain I
36–93（58 aa）
|
Not recorded | CA CALCIUM ION × 2 SO4 SULFATE ION × 4 | X-RAY DIFFRACTION mmCIF provides none of the parsed conditions | Resolution 1.90 Å |
| 2TPI ON THE DISORDERED ACTIVATION DOMAIN IN TRYPSINOGEN. CHEMICAL LABELLING AND LOW-TEMPERATURE CRYSTALLOGRAPHY Deposited 1981-10-26 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain I
36–93（58 aa）
|
Not recorded | ILE ISOLEUCINE × 1 VAL VALINE × 1 HG MERCURY (II) ION × 1 | X-RAY DIFFRACTION mmCIF provides none of the parsed conditions | Resolution 2.10 Å |
| 2ZJX Bovine pancreatic trypsin inhibitor (BPTI) containing only the [5,55] disulfide bond Deposited 2008-03-11 | Different construct Different mutation/modification 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
36–93（58 aa）
Chain B
36–93（58 aa）
|
Mutation：C14G, C30A, C38A, C51A, M52L Mutation：C14G, C30A, C38A, C51A, M52L | SO4 SULFATE ION × 4 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.7；293 K；Tris-HCl, pH8.7, Lithium sulfate, PEG4000, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 1.09 Å R-free 0.209 |
| 2ZVX Structure of a BPTI-[5,55] variant containing Gly/Val at the 14/38th positions Deposited 2008-11-24 | Different construct Different mutation/modification 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
36–93（58 aa）
Chain B
36–93（58 aa）
|
Mutation：C14G, C30A, C38V, C51A, M52L Mutation：C14G, C30A, C38V, C51A, M52L | SO4 SULFATE ION × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.5；293 K；0.1M Tris-HCl, pH8.5, 0.2M Lithium chloride, 30% PEG4000, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 1.09 Å R-free 0.212 |
| 3BTD The Crystal Structures of the Complexes Between the Bovine Beta-Trypsin and Ten P1 Variants of BPTI. Deposited 1999-03-11 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain I
1–58（58 aa）
|
Mutation：K15D | CA CALCIUM ION × 1 SO4 SULFATE ION × 4 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7.5；pH 7.5
|
Resolution 1.90 Å R-free 0.230 |
| 3BTD The Crystal Structures of the Complexes Between the Bovine Beta-Trypsin and Ten P1 Variants of BPTI. Deposited 1999-03-11 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 8 PDB declaration: octameric |
Chain I
1–58（58 aa）
|
Mutation：K15D | CA CALCIUM ION × 4 SO4 SULFATE ION × 16 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7.5；pH 7.5
|
Resolution 1.90 Å R-free 0.230 |
| 3BTE The Crystal Structures of the Complexes Between Bovine Beta-Trypsin and Ten P1 Variants of BPTI. Deposited 1999-03-11 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain I
36–93（58 aa）
|
Mutation：K15E | CA CALCIUM ION × 1 SO4 SULFATE ION × 4 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7.5；0.1 M HEPES PH 7.5, 48% AMMONIUM SULPHATE
|
Resolution 1.85 Å R-free 0.227 |
| 3BTE The Crystal Structures of the Complexes Between Bovine Beta-Trypsin and Ten P1 Variants of BPTI. Deposited 1999-03-11 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 8 PDB declaration: octameric |
Chain I
36–93（58 aa）
|
Mutation：K15E | CA CALCIUM ION × 4 SO4 SULFATE ION × 16 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7.5；0.1 M HEPES PH 7.5, 48% AMMONIUM SULPHATE
|
Resolution 1.85 Å R-free 0.227 |
| 3BTF THE CRYSTAL STRUCTURES OF THE COMPLEXES BETWEEN BOVINE BETA-TRYPSIN AND TEN P1 VARIANTS OF BPTI. Deposited 1999-03-10 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain I
1–58（58 aa）
|
Mutation：YES | CA CALCIUM ION × 1 SO4 SULFATE ION × 4 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7.5；0.1 M HEPES PH 7.5
48% AMMONIUM SULPHATE
|
Resolution 1.80 Å R-free 0.225 |
| 3BTF THE CRYSTAL STRUCTURES OF THE COMPLEXES BETWEEN BOVINE BETA-TRYPSIN AND TEN P1 VARIANTS OF BPTI. Deposited 1999-03-10 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 8 PDB declaration: octameric |
Chain I
1–58（58 aa）
|
Mutation：YES | CA CALCIUM ION × 4 SO4 SULFATE ION × 16 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7.5；0.1 M HEPES PH 7.5
48% AMMONIUM SULPHATE
|
Resolution 1.80 Å R-free 0.225 |
| 3BTF THE CRYSTAL STRUCTURES OF THE COMPLEXES BETWEEN BOVINE BETA-TRYPSIN AND TEN P1 VARIANTS OF BPTI. Deposited 1999-03-10 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 3 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain I
1–58（58 aa）
|
Mutation：YES | CA CALCIUM ION × 2 SO4 SULFATE ION × 8 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7.5；0.1 M HEPES PH 7.5
48% AMMONIUM SULPHATE
|
Resolution 1.80 Å R-free 0.225 |
| 3BTG THE CRYSTAL STRUCTURES OF THE COMPLEXES BETWEEN BOVINE BETA-TRYPSIN AND TEN P1 VARIANTS OF BPTI Deposited 1999-03-10 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain I
1–58（58 aa）
|
Mutation：K15G | CA CALCIUM ION × 1 SO4 SULFATE ION × 4 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7.5；0.1 M HEPES PH 7.5
48% AMMONIUM SULPHATE
|
Resolution 1.90 Å R-free 0.237 |
| 3BTG THE CRYSTAL STRUCTURES OF THE COMPLEXES BETWEEN BOVINE BETA-TRYPSIN AND TEN P1 VARIANTS OF BPTI Deposited 1999-03-10 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 8 PDB declaration: octameric |
Chain I
1–58（58 aa）
|
Mutation：K15G | CA CALCIUM ION × 4 SO4 SULFATE ION × 16 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7.5；0.1 M HEPES PH 7.5
48% AMMONIUM SULPHATE
|
Resolution 1.90 Å R-free 0.237 |
| 3BTG THE CRYSTAL STRUCTURES OF THE COMPLEXES BETWEEN BOVINE BETA-TRYPSIN AND TEN P1 VARIANTS OF BPTI Deposited 1999-03-10 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 3 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain I
1–58（58 aa）
|
Mutation：K15G | CA CALCIUM ION × 2 SO4 SULFATE ION × 8 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7.5；0.1 M HEPES PH 7.5
48% AMMONIUM SULPHATE
|
Resolution 1.90 Å R-free 0.237 |
| 3BTH THE CRYSTAL STRUCTURES OF THE COMPLEXES BETWEEN BOVINE BETA-TRYPSIN AND TEN P1 VARIANTS OF BPTI Deposited 1999-03-10 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain I
1–58（58 aa）
|
Mutation：K15H | CA CALCIUM ION × 1 SO4 SULFATE ION × 4 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7.5；pH 7.5
|
Resolution 1.75 Å R-free 0.235 |
| 3BTH THE CRYSTAL STRUCTURES OF THE COMPLEXES BETWEEN BOVINE BETA-TRYPSIN AND TEN P1 VARIANTS OF BPTI Deposited 1999-03-10 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 8 PDB declaration: octameric |
Chain I
1–58（58 aa）
|
Mutation：K15H | CA CALCIUM ION × 4 SO4 SULFATE ION × 16 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7.5；pH 7.5
|
Resolution 1.75 Å R-free 0.235 |
| 3BTH THE CRYSTAL STRUCTURES OF THE COMPLEXES BETWEEN BOVINE BETA-TRYPSIN AND TEN P1 VARIANTS OF BPTI Deposited 1999-03-10 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 3 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain I
1–58（58 aa）
|
Mutation：K15H | CA CALCIUM ION × 2 SO4 SULFATE ION × 8 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7.5；pH 7.5
|
Resolution 1.75 Å R-free 0.235 |
| 3BTK THE CRYSTAL STRUCTURES OF THE COMPLEXES BETWEEN BOVINE BETA-TRYPSIN AND TEN P1 VARIANTS OF BPTI Deposited 1999-03-10 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain I
1–58（58 aa）
|
Not recorded | CA CALCIUM ION × 1 SO4 SULFATE ION × 4 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7.5；pH 7.5
|
Resolution 1.85 Å R-free 0.230 |
| 3BTK THE CRYSTAL STRUCTURES OF THE COMPLEXES BETWEEN BOVINE BETA-TRYPSIN AND TEN P1 VARIANTS OF BPTI Deposited 1999-03-10 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 8 PDB declaration: octameric |
Chain I
1–58（58 aa）
|
Not recorded | CA CALCIUM ION × 4 SO4 SULFATE ION × 16 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7.5；pH 7.5
|
Resolution 1.85 Å R-free 0.230 |
| 3BTK THE CRYSTAL STRUCTURES OF THE COMPLEXES BETWEEN BOVINE BETA-TRYPSIN AND TEN P1 VARIANTS OF BPTI Deposited 1999-03-10 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 3 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain I
1–58（58 aa）
|
Not recorded | CA CALCIUM ION × 2 SO4 SULFATE ION × 8 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7.5；pH 7.5
|
Resolution 1.85 Å R-free 0.230 |
| 3BTM THE CRYSTAL STRUCTURES OF THE COMPLEXES BETWEEN BOVINE BETA-TRYPSIN AND TEN P1 VARIANTS OF BPTI Deposited 1999-03-10 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain I
1–58（58 aa）
|
Mutation：K15M | CA CALCIUM ION × 1 SO4 SULFATE ION × 4 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7.5；pH 7.5
|
Resolution 1.80 Å R-free 0.228 |
| 3BTM THE CRYSTAL STRUCTURES OF THE COMPLEXES BETWEEN BOVINE BETA-TRYPSIN AND TEN P1 VARIANTS OF BPTI Deposited 1999-03-10 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 8 PDB declaration: octameric |
Chain I
1–58（58 aa）
|
Mutation：K15M | CA CALCIUM ION × 4 SO4 SULFATE ION × 16 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7.5；pH 7.5
|
Resolution 1.80 Å R-free 0.228 |
| 3BTM THE CRYSTAL STRUCTURES OF THE COMPLEXES BETWEEN BOVINE BETA-TRYPSIN AND TEN P1 VARIANTS OF BPTI Deposited 1999-03-10 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 3 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain I
1–58（58 aa）
|
Mutation：K15M | CA CALCIUM ION × 2 SO4 SULFATE ION × 8 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7.5；pH 7.5
|
Resolution 1.80 Å R-free 0.228 |
| 3BTQ THE CRYSTAL STRUCTURES OF THE COMPLEXES BETWEEN BOVINE BETA-TRYPSIN AND TEN P1 VARIANTS OF BPTI Deposited 1999-03-10 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain I
1–58（58 aa）
|
Mutation：K15Q | CA CALCIUM ION × 1 SO4 SULFATE ION × 4 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7.5；pH 7.5
|
Resolution 1.90 Å R-free 0.231 |
| 3BTQ THE CRYSTAL STRUCTURES OF THE COMPLEXES BETWEEN BOVINE BETA-TRYPSIN AND TEN P1 VARIANTS OF BPTI Deposited 1999-03-10 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 8 PDB declaration: octameric |
Chain I
1–58（58 aa）
|
Mutation：K15Q | CA CALCIUM ION × 4 SO4 SULFATE ION × 16 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7.5；pH 7.5
|
Resolution 1.90 Å R-free 0.231 |
| 3BTQ THE CRYSTAL STRUCTURES OF THE COMPLEXES BETWEEN BOVINE BETA-TRYPSIN AND TEN P1 VARIANTS OF BPTI Deposited 1999-03-10 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 3 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain I
1–58（58 aa）
|
Mutation：K15Q | CA CALCIUM ION × 2 SO4 SULFATE ION × 8 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7.5；pH 7.5
|
Resolution 1.90 Å R-free 0.231 |
| 3BTT THE CRYSTAL STRUCTURES OF THE COMPLEXES BETWEEN BOVINE BETA-TRYPSIN AND TEN P1 VARIANTS OF BPTI Deposited 1999-03-10 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain I
1–58（58 aa）
|
Mutation：K15T,M52L | CA CALCIUM ION × 1 SO4 SULFATE ION × 4 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7.5；0.1 M HEPES PH 7.5 48% AMMONIUM SULPHATE
|
Resolution 1.90 Å R-free 0.232 |
| 3BTT THE CRYSTAL STRUCTURES OF THE COMPLEXES BETWEEN BOVINE BETA-TRYPSIN AND TEN P1 VARIANTS OF BPTI Deposited 1999-03-10 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 8 PDB declaration: octameric |
Chain I
1–58（58 aa）
|
Mutation：K15T,M52L | CA CALCIUM ION × 4 SO4 SULFATE ION × 16 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7.5；0.1 M HEPES PH 7.5 48% AMMONIUM SULPHATE
|
Resolution 1.90 Å R-free 0.232 |
| 3BTT THE CRYSTAL STRUCTURES OF THE COMPLEXES BETWEEN BOVINE BETA-TRYPSIN AND TEN P1 VARIANTS OF BPTI Deposited 1999-03-10 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 3 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain I
1–58（58 aa）
|
Mutation：K15T,M52L | CA CALCIUM ION × 2 SO4 SULFATE ION × 8 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7.5；0.1 M HEPES PH 7.5 48% AMMONIUM SULPHATE
|
Resolution 1.90 Å R-free 0.232 |
| 3BTW THE CRYSTAL STRUCTURES OF THE COMPLEXES BETWEEN BOVINE BETA-TRYPSIN AND TEN P1 VARIANTS OF BPTI Deposited 1999-03-11 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain I
1–58（58 aa）
|
Mutation：K15W | CA CALCIUM ION × 1 SO4 SULFATE ION × 4 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7.5；pH 7.5
|
Resolution 2.05 Å R-free 0.238 |
| 3BTW THE CRYSTAL STRUCTURES OF THE COMPLEXES BETWEEN BOVINE BETA-TRYPSIN AND TEN P1 VARIANTS OF BPTI Deposited 1999-03-11 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 8 PDB declaration: octameric |
Chain I
1–58（58 aa）
|
Mutation：K15W | CA CALCIUM ION × 4 SO4 SULFATE ION × 16 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7.5；pH 7.5
|
Resolution 2.05 Å R-free 0.238 |
| 3BTW THE CRYSTAL STRUCTURES OF THE COMPLEXES BETWEEN BOVINE BETA-TRYPSIN AND TEN P1 VARIANTS OF BPTI Deposited 1999-03-11 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 3 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain I
1–58（58 aa）
|
Mutation：K15W | CA CALCIUM ION × 2 SO4 SULFATE ION × 8 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7.5；pH 7.5
|
Resolution 2.05 Å R-free 0.238 |
| 3FP6 Anionic trypsin in complex with bovine pancreatic trypsin inhibitor (BPTI) determined to the 1.49 A resolution limit Deposited 2009-01-04 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain I
36–93（58 aa）
|
Not recorded | EDO 1,2-ETHANEDIOL × 8 PG4 TETRAETHYLENE GLYCOL × 1 CA CALCIUM ION × 1 SO4 SULFATE ION × 4 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7.5；295 K；0.2M lithium sulfate, 0.1M tris, 16% (w/v) PEG 4000, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K
|
Resolution 1.49 Å R-free 0.205 |
| 3FP7 Anionic trypsin variant S195A in complex with bovine pancreatic trypsin inhibitor (BPTI) cleaved at the scissile bond (LYS15-ALA16) determined to the 1.46 A resolution limit Deposited 2009-01-04 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric |
Chain I
36–50（15 aa）
Chain J
51–93（43 aa）
|
Not recorded | EDO 1,2-ETHANEDIOL × 5 PG4 TETRAETHYLENE GLYCOL × 1 CA CALCIUM ION × 1 SO4 SULFATE ION × 4 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 8；295 K；0.2M lithium sulfate, 0.1M tris, 34% (w/v) PEG 4000, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 295K
|
Resolution 1.46 Å R-free 0.186 |
| 3FP8 Anionic trypsin variant S195A in complex with bovine pancreatic trypsin inhibitor (BPTI) determined to the 1.46 A resolution limit Deposited 2009-01-04 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain I
36–93（58 aa）
|
Not recorded | EDO 1,2-ETHANEDIOL × 6 PG4 TETRAETHYLENE GLYCOL × 1 CA CALCIUM ION × 1 SO4 SULFATE ION × 4 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7.5；295 K；0.2M lithium sulfate, 0.1M tris, 34% (w/v) PEG 4000, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K
|
Resolution 1.46 Å R-free 0.189 |
| 3GYM Structure of Prostasin in Complex with Aprotinin Deposited 2009-04-03 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain I
36–93（58 aa）
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8；293 K；1.6M potassium hydrogen phosphate,
0.4M sodium dihydrogen phosphate, 0.2M sodium
chloride in an imidazole buffer at pH 8.0., VAPOR DIFFUSION, SITTING DROP, temperature 293K
|
Resolution 2.80 Å R-free 0.271 |
| 3GYM Structure of Prostasin in Complex with Aprotinin Deposited 2009-04-03 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain J
36–93（58 aa）
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8；293 K；1.6M potassium hydrogen phosphate,
0.4M sodium dihydrogen phosphate, 0.2M sodium
chloride in an imidazole buffer at pH 8.0., VAPOR DIFFUSION, SITTING DROP, temperature 293K
|
Resolution 2.80 Å R-free 0.271 |
| 3LDI Crystal structure of aprotinin in complex with sucrose octasulfate: unusual interactions and implication for heparin binding Deposited 2010-01-13 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 10 PDB declaration: decameric |
Chain A
36–93（58 aa）
Fragment：UNP residues 36-93
Chain B
36–93（58 aa）
Fragment：UNP residues 36-93
Chain C
36–93（58 aa）
Fragment：UNP residues 36-93
Chain D
36–93（58 aa）
Fragment：UNP residues 36-93
Chain E
36–93（58 aa）
Fragment：UNP residues 36-93
|
Not recorded | SO4 SULFATE ION × 36 HG MERCURY (II) ION × 10 GOL GLYCEROL × 4 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 4.6；295 K；100mM sodium acetate, 2M ammonium sulfate, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 295K
|
Resolution 2.20 Å R-free 0.234 |
| 3LDJ Crystal structure of aprotinin in complex with sucrose octasulfate: unusual interactions and implication for heparin binding Deposited 2010-01-13 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
36–93（58 aa）
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8；295 K；20-25% PEG4000, pH 8, VAPOR DIFFUSION, HANGING DROP, temperature 295K
|
Resolution 1.70 Å R-free 0.234 |
| 3LDJ Crystal structure of aprotinin in complex with sucrose octasulfate: unusual interactions and implication for heparin binding Deposited 2010-01-13 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 2 Other combination Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
36–93（58 aa）
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8；295 K；20-25% PEG4000, pH 8, VAPOR DIFFUSION, HANGING DROP, temperature 295K
|
Resolution 1.70 Å R-free 0.234 |
| 3LDJ Crystal structure of aprotinin in complex with sucrose octasulfate: unusual interactions and implication for heparin binding Deposited 2010-01-13 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain C
36–93（58 aa）
|
Not recorded | ACT ACETATE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8；295 K；20-25% PEG4000, pH 8, VAPOR DIFFUSION, HANGING DROP, temperature 295K
|
Resolution 1.70 Å R-free 0.234 |
| 3LDM Crystal structure of aprotinin in complex with sucrose octasulfate: unusual interactions and implication for heparin binding Deposited 2010-01-13 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 10 PDB declaration: decameric |
Chain A
36–93（58 aa）
Chain B
36–93（58 aa）
Chain C
36–93（58 aa）
Chain D
36–93（58 aa）
Chain E
36–93（58 aa）
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 4.6；295 K；100mM sodium acetate pH4.6, 2M NaCl, VAPOR DIFFUSION, HANGING DROP, temperature 295K
|
Resolution 2.60 Å R-free 0.257 |
| 3OTJ A Crystal Structure of Trypsin Complexed with BPTI (Bovine Pancreatic Trypsin Inhibitor) by X-ray/Neutron Joint Refinement Deposited 2010-09-12 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain I
36–93（58 aa）
|
Not recorded | CA CALCIUM ION × 1 SO4 SULFATE ION × 5 |
Experimental method not declared
X-ray crystallization conditions
pH 7.5；298 K；(NH4)2SO4, CaCl2, HEPES, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K
|
Resolution 2.15 Å |
| 3P92 Human mesotrypsin complexed with bovine pancreatic trypsin inhibitor variant (BPTI-K15R/R17G) Deposited 2010-10-15 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain E
36–93（58 aa）
Fragment：UNP Residues 36-93
|
Mutation：K15R, R17G | CA CALCIUM ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8；298 K；25% PEG4000, 0.2M Na acetate and 100mM Tris pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 1.60 Å R-free 0.159 |
| 3P92 Human mesotrypsin complexed with bovine pancreatic trypsin inhibitor variant (BPTI-K15R/R17G) Deposited 2010-10-15 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain E
36–93（58 aa）
Fragment：UNP Residues 36-93
|
Mutation：K15R, R17G | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8；298 K；25% PEG4000, 0.2M Na acetate and 100mM Tris pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 1.60 Å R-free 0.159 |
| 3P95 Human mesotrypsin complexed with bovine pancreatic trypsin inhibitor variant (BPTI-K15R/R17D) Deposited 2010-10-15 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain E
36–93（58 aa）
Fragment：UNP Residues 36-93
|
Mutation：K15R, R17D | CA CALCIUM ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8；298 K；25% PEG4000, 0.2M Na acetate and 100mM Tris pH 8.0, vapor diffusion, hanging drop, temperature 298K
|
Resolution 1.30 Å R-free 0.132 |
| 3TGI WILD-TYPE RAT ANIONIC TRYPSIN COMPLEXED WITH BOVINE PANCREATIC TRYPSIN INHIBITOR (BPTI) Deposited 1998-07-15 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain I
36–100（65 aa）
|
Not recorded | CA CALCIUM ION × 1 SO4 SULFATE ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 8.5；30% PEG 4000 0.2 M LISO4 0.1 M TRIS PH 8.5
|
Resolution 1.80 Å R-free 0.210 |
| 3TGJ S195A TRYPSINOGEN COMPLEXED WITH BOVINE PANCREATIC TRYPSIN INHIBITOR (BPTI) Deposited 1998-07-16 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain I
36–100（65 aa）
|
Not recorded | CA CALCIUM ION × 1 SO4 SULFATE ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 8.5；24% PEG 4000 0.2 M LISO4 0.1 M TRIS PH 8.5
|
Resolution 2.20 Å R-free 0.240 |
| 3TGK TRYPSINOGEN MUTANT D194N AND DELETION OF ILE 16-VAL 17 COMPLEXED WITH BOVINE PANCREATIC TRYPSIN INHIBITOR (BPTI) Deposited 1998-07-19 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain I
36–100（65 aa）
|
Not recorded | CA CALCIUM ION × 1 SO4 SULFATE ION × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 8.5；0.2 M LISO4, 0.1 M TRIS, pH 8.5
|
Resolution 1.70 Å R-free 0.218 |
| 3TPI THE GEOMETRY OF THE REACTIVE SITE AND OF THE PEPTIDE GROUPS IN TRYPSIN, TRYPSINOGEN AND ITS COMPLEXES WITH INHIBITORS Deposited 1982-09-27 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain I
36–93（58 aa）
|
Not recorded | ILE ISOLEUCINE × 1 VAL VALINE × 1 CA CALCIUM ION × 1 SO4 SULFATE ION × 2 | X-RAY DIFFRACTION mmCIF provides none of the parsed conditions | Resolution 1.90 Å |
| 3TPI THE GEOMETRY OF THE REACTIVE SITE AND OF THE PEPTIDE GROUPS IN TRYPSIN, TRYPSINOGEN AND ITS COMPLEXES WITH INHIBITORS Deposited 1982-09-27 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 8 PDB declaration: octameric |
Chain I
36–93（58 aa）
|
Not recorded | ILE ISOLEUCINE × 4 VAL VALINE × 4 CA CALCIUM ION × 4 SO4 SULFATE ION × 8 | X-RAY DIFFRACTION mmCIF provides none of the parsed conditions | Resolution 1.90 Å |
| 3TPI THE GEOMETRY OF THE REACTIVE SITE AND OF THE PEPTIDE GROUPS IN TRYPSIN, TRYPSINOGEN AND ITS COMPLEXES WITH INHIBITORS Deposited 1982-09-27 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 3 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain I
36–93（58 aa）
|
Not recorded | ILE ISOLEUCINE × 2 VAL VALINE × 2 CA CALCIUM ION × 2 SO4 SULFATE ION × 4 | X-RAY DIFFRACTION mmCIF provides none of the parsed conditions | Resolution 1.90 Å |
| 3TPI THE GEOMETRY OF THE REACTIVE SITE AND OF THE PEPTIDE GROUPS IN TRYPSIN, TRYPSINOGEN AND ITS COMPLEXES WITH INHIBITORS Deposited 1982-09-27 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 4 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain I
36–93（58 aa）
|
Not recorded | ILE ISOLEUCINE × 1 VAL VALINE × 1 CA CALCIUM ION × 1 SO4 SULFATE ION × 2 | X-RAY DIFFRACTION mmCIF provides none of the parsed conditions | Resolution 1.90 Å |
| 3U1J Aprotinin bound to Dengue virus protease Deposited 2011-09-30 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric |
Chain E
36–93（58 aa）
Fragment：UNP residues 36-93
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；291 K；0.1M MES pH 6.5, 30% PEG 4000, VAPOR DIFFUSION, SITTING DROP, temperature 291K
|
Resolution 1.80 Å R-free 0.204 |
| 4BNR Extremely stable complex of crayfish trypsin with bovine trypsin inhibitor Deposited 2013-05-17 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain J
1–100（100 aa）
|
Not recorded | CA CALCIUM ION × 2 SO4 SULFATE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 5.6；293 K；10.6 MG/ML PROTEIN, 33 (W/V)% PEG 4000, 0.1 M SODIUM CITRATE PH 5.6, 0.2 M AMMONIUM ACETATE, 1:1 MIXING, 20 C
|
Resolution 2.00 Å R-free 0.182 |
| 4BNR Extremely stable complex of crayfish trypsin with bovine trypsin inhibitor Deposited 2013-05-17 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain I
1–100（100 aa）
|
Not recorded | CA CALCIUM ION × 2 SO4 SULFATE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 5.6；293 K；10.6 MG/ML PROTEIN, 33 (W/V)% PEG 4000, 0.1 M SODIUM CITRATE PH 5.6, 0.2 M AMMONIUM ACETATE, 1:1 MIXING, 20 C
|
Resolution 2.00 Å R-free 0.182 |
| 4DG4 Human mesotrypsin-S39Y complexed with bovine pancreatic trypsin inhibitor (BPTI) Deposited 2012-01-24 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain E
36–93（58 aa）
Fragment：unp residues 36-93
|
Not recorded | SO4 SULFATE ION × 5 CA CALCIUM ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；298 K；1.6M ammonium sulfate, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 1.40 Å R-free 0.211 |
| 4DG4 Human mesotrypsin-S39Y complexed with bovine pancreatic trypsin inhibitor (BPTI) Deposited 2012-01-24 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain C
36–93（58 aa）
Fragment：unp residues 36-93
|
Not recorded | SO4 SULFATE ION × 4 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；298 K；1.6M ammonium sulfate, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 1.40 Å R-free 0.211 |
| 4DG4 Human mesotrypsin-S39Y complexed with bovine pancreatic trypsin inhibitor (BPTI) Deposited 2012-01-24 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 3 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain F
36–93（58 aa）
Fragment：unp residues 36-93
|
Not recorded | SO4 SULFATE ION × 5 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；298 K；1.6M ammonium sulfate, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 1.40 Å R-free 0.211 |
| 4DG4 Human mesotrypsin-S39Y complexed with bovine pancreatic trypsin inhibitor (BPTI) Deposited 2012-01-24 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 4 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain H
36–93（58 aa）
Fragment：unp residues 36-93
|
Not recorded | SO4 SULFATE ION × 10 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；298 K；1.6M ammonium sulfate, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 1.40 Å R-free 0.211 |
| 4PTI THE GEOMETRY OF THE REACTIVE SITE AND OF THE PEPTIDE GROUPS IN TRYPSIN, TRYPSINOGEN AND ITS COMPLEXES WITH INHIBITORS Deposited 1982-09-27 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
36–93（58 aa）
|
Not recorded | No recorded non-water small molecule | X-RAY DIFFRACTION mmCIF provides none of the parsed conditions | Resolution 1.50 Å |
| 4TPI THE REFINED 2.2-ANGSTROMS (0.22-NM) X-RAY CRYSTAL STRUCTURE OF THE TERNARY COMPLEX FORMED BY BOVINE TRYPSINOGEN, VALINE-VALINE AND THE ARG15 ANALOGUE OF BOVINE PANCREATIC TRYPSIN INHIBITOR Deposited 1985-06-11 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain I
36–93（58 aa）
|
Not recorded | VAL VALINE × 2 CA CALCIUM ION × 1 SO4 SULFATE ION × 2 | X-RAY DIFFRACTION mmCIF provides none of the parsed conditions | Resolution 2.20 Å |
| 4TPI THE REFINED 2.2-ANGSTROMS (0.22-NM) X-RAY CRYSTAL STRUCTURE OF THE TERNARY COMPLEX FORMED BY BOVINE TRYPSINOGEN, VALINE-VALINE AND THE ARG15 ANALOGUE OF BOVINE PANCREATIC TRYPSIN INHIBITOR Deposited 1985-06-11 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 8 PDB declaration: octameric |
Chain I
36–93（58 aa）
|
Not recorded | VAL VALINE × 8 CA CALCIUM ION × 4 SO4 SULFATE ION × 8 | X-RAY DIFFRACTION mmCIF provides none of the parsed conditions | Resolution 2.20 Å |
| 4TPI THE REFINED 2.2-ANGSTROMS (0.22-NM) X-RAY CRYSTAL STRUCTURE OF THE TERNARY COMPLEX FORMED BY BOVINE TRYPSINOGEN, VALINE-VALINE AND THE ARG15 ANALOGUE OF BOVINE PANCREATIC TRYPSIN INHIBITOR Deposited 1985-06-11 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 3 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain I
36–93（58 aa）
|
Not recorded | VAL VALINE × 4 CA CALCIUM ION × 2 SO4 SULFATE ION × 4 | X-RAY DIFFRACTION mmCIF provides none of the parsed conditions | Resolution 2.20 Å |
| 4WWY human cationic trypsin G193R mutant in complex with bovine pancreatic trypsin inhibitor Deposited 2014-11-12 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain C
36–93（58 aa）
Fragment：UNP residues 36-93
|
Not recorded | SO4 SULFATE ION × 5 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；0.2M ammonium sulfate, 0.1M sodium cacodylate trihydrate, 30% PEG-8000
|
Resolution 1.70 Å R-free 0.207 |
| 4WWY human cationic trypsin G193R mutant in complex with bovine pancreatic trypsin inhibitor Deposited 2014-11-12 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain I
36–93（58 aa）
Fragment：UNP residues 36-93
|
Not recorded | SO4 SULFATE ION × 3 CA CALCIUM ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；0.2M ammonium sulfate, 0.1M sodium cacodylate trihydrate, 30% PEG-8000
|
Resolution 1.70 Å R-free 0.207 |
| 4WXV Human cationic trypsin K97D mutant in complex with bovine pancreatic trypsin inhibitor (BPTI) Deposited 2014-11-14 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain C
36–90（55 aa）
Fragment：UNP residues 36-90
|
Not recorded | CA CALCIUM ION × 1 SO4 SULFATE ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；0.2M ammonium sulfate, 0.1 sodium cacodylate trihydrate, 30% PEG-8000
|
Resolution 2.10 Å R-free 0.281 |
| 4WXV Human cationic trypsin K97D mutant in complex with bovine pancreatic trypsin inhibitor (BPTI) Deposited 2014-11-14 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain I
36–90（55 aa）
Fragment：UNP residues 36-90
|
Not recorded | CA CALCIUM ION × 1 SO4 SULFATE ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；0.2M ammonium sulfate, 0.1 sodium cacodylate trihydrate, 30% PEG-8000
|
Resolution 2.10 Å R-free 0.281 |
| 4Y0Y Trypsin in complex with with BPTI Deposited 2015-02-06 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain I
36–93（58 aa）
Fragment：residues 36-93
|
Not recorded | SO4 SULFATE ION × 9 GOL GLYCEROL × 2 CA CALCIUM ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；291 K；1.8 to 2.2 M ammonium sulfate
|
Resolution 1.25 Å R-free 0.155 |
| 4Y0Z Trypsin in complex with with BPTI mutant AMINOBUTYRIC ACID Deposited 2015-02-06 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain I
36–93（58 aa）
Fragment：UNP residues 36-93
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | SO4 SULFATE ION × 10 CA CALCIUM ION × 1 GOL GLYCEROL × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；291 K；1.8 to 2.2 M ammonium sulfate
|
Resolution 1.37 Å R-free 0.156 |
| 4Y10 Trypsin in complex with with BPTI mutant (2S)-2-amino-4,4-difluorobutanoic acid Deposited 2015-02-06 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain I
36–93（58 aa）
Fragment：UNP residues 36-93
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | SO4 SULFATE ION × 9 GOL GLYCEROL × 1 CA CALCIUM ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；291 K；1.8 to 2.2 M ammonium sulfate
|
Resolution 1.37 Å R-free 0.165 |
| 4Y11 Trypsin in complex with with BPTI mutant (2S)-2-amino-4,4,4-trifluorobutanoic acid Deposited 2015-02-06 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain I
36–93（58 aa）
Fragment：UNP residues 36-93
|
Mutation：y Non-standard monomer：Yes (specific site not provided by mmCIF) | SO4 SULFATE ION × 9 GOL GLYCEROL × 2 CA CALCIUM ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；291 K；1.8 to 2.2 M ammonium sulfate
|
Resolution 1.30 Å R-free 0.156 |
| 5JB4 A simplified BPTI variant containing 21 alanines out 58 of residues Deposited 2016-04-13 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
36–93（58 aa）
|
Mutation：C49G,C73V,M87L | SO4 SULFATE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.5；293 K；PEG 4000, LITHIUM SULFATE, TRIS-HCL
|
Resolution 1.99 Å R-free 0.216 |
| 5JB4 A simplified BPTI variant containing 21 alanines out 58 of residues Deposited 2016-04-13 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
36–93（58 aa）
|
Mutation：C49G,C73V,M87L | SO4 SULFATE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.5；293 K；PEG 4000, LITHIUM SULFATE, TRIS-HCL
|
Resolution 1.99 Å R-free 0.216 |
| 5JB4 A simplified BPTI variant containing 21 alanines out 58 of residues Deposited 2016-04-13 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain C
36–93（58 aa）
|
Mutation：C49G,C73V,M87L | SO4 SULFATE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.5；293 K；PEG 4000, LITHIUM SULFATE, TRIS-HCL
|
Resolution 1.99 Å R-free 0.216 |
| 5JB5 A simplified BPTI variant containing 22 alanines out of 58 residues Deposited 2016-04-13 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
36–93（58 aa）
|
Mutation：C49G,C73V,M87L | SO4 SULFATE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.5；293 K；PEG 4000, LITIUM SULFATE, TRIS-HCL
|
Resolution 1.60 Å R-free 0.194 |
| 5JB5 A simplified BPTI variant containing 22 alanines out of 58 residues Deposited 2016-04-13 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
36–93（58 aa）
|
Mutation：C49G,C73V,M87L | SO4 SULFATE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.5；293 K；PEG 4000, LITIUM SULFATE, TRIS-HCL
|
Resolution 1.60 Å R-free 0.194 |
| 5JB5 A simplified BPTI variant containing 22 alanines out of 58 residues Deposited 2016-04-13 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain C
36–93（58 aa）
|
Mutation：C49G,C73V,M87L | SO4 SULFATE ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.5；293 K；PEG 4000, LITIUM SULFATE, TRIS-HCL
|
Resolution 1.60 Å R-free 0.194 |
| 5JB6 A simplified BPTI variant containing 23 alanines out of 58 residues Deposited 2016-04-13 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
36–93（58 aa）
|
Mutation：C49G,C73V,M87L | SO4 SULFATE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.5；293 K；PEG 4000, LITHIUM SULFATE, TRIS-HCL
|
Resolution 1.90 Å R-free 0.208 |
| 5JB6 A simplified BPTI variant containing 23 alanines out of 58 residues Deposited 2016-04-13 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
36–93（58 aa）
|
Mutation：C49G,C73V,M87L | SO4 SULFATE ION × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.5；293 K；PEG 4000, LITHIUM SULFATE, TRIS-HCL
|
Resolution 1.90 Å R-free 0.208 |
| 5JB6 A simplified BPTI variant containing 23 alanines out of 58 residues Deposited 2016-04-13 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain C
36–93（58 aa）
|
Mutation：C49G,C73V,M87L | SO4 SULFATE ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.5；293 K；PEG 4000, LITHIUM SULFATE, TRIS-HCL
|
Resolution 1.90 Å R-free 0.208 |
| 5JB7 A simplified BPTI variant containing 24 alanines out of 58 residues Deposited 2016-04-13 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
36–93（58 aa）
|
Mutation：C49G,C73V,M87L | SO4 SULFATE ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.5；293 K；PEG 4000, LITHIUM SULFATE, TRIS-HCL
|
Resolution 1.90 Å R-free 0.235 |
| 5JB7 A simplified BPTI variant containing 24 alanines out of 58 residues Deposited 2016-04-13 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
36–93（58 aa）
|
Mutation：C49G,C73V,M87L | SO4 SULFATE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.5；293 K；PEG 4000, LITHIUM SULFATE, TRIS-HCL
|
Resolution 1.90 Å R-free 0.235 |
| 5JB7 A simplified BPTI variant containing 24 alanines out of 58 residues Deposited 2016-04-13 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain C
36–93（58 aa）
|
Mutation：C49G,C73V,M87L | SO4 SULFATE ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.5；293 K；PEG 4000, LITHIUM SULFATE, TRIS-HCL
|
Resolution 1.90 Å R-free 0.235 |
| 5PTI STRUCTURE OF BOVINE PANCREATIC TRYPSIN INHIBITOR. RESULTS OF JOINT NEUTRON AND X-RAY REFINEMENT OF CRYSTAL FORM II Deposited 1984-10-05 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
36–93（58 aa）
|
Not recorded | PO4 PHOSPHATE ION × 1 UNX UNKNOWN LIGAND × 1 | Experimental method not declared mmCIF provides none of the parsed conditions | Resolution 1.00 Å |
| 5XX2 A BPTI-[5,55] variant with C14GA38L mutations Deposited 2017-07-01 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
36–93（58 aa）
|
Mutation：A14G, A38L | SO4 SULFATE ION × 4 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.5；293.15 K；30% PEG4000; 0.2M Lithium Sulfate; 0.1M Tris-HCl, pH8.5
|
Resolution 1.12 Å R-free 0.146 |
| 5XX2 A BPTI-[5,55] variant with C14GA38L mutations Deposited 2017-07-01 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
36–93（58 aa）
|
Mutation：A14G, A38L | SO4 SULFATE ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.5；293.15 K；30% PEG4000; 0.2M Lithium Sulfate; 0.1M Tris-HCl, pH8.5
|
Resolution 1.12 Å R-free 0.146 |
| 5XX3 A BPTI-[5,55] variant with C14GA38G mutations Deposited 2017-07-01 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
36–93（58 aa）
|
Mutation：A14G, A38G | SO4 SULFATE ION × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.5；293.15 K；30% PEG4000; 0.2M Lithium Sulfate; 0.1M Tris-HCl, pH8.5
|
Resolution 1.12 Å R-free 0.193 |
| 5XX3 A BPTI-[5,55] variant with C14GA38G mutations Deposited 2017-07-01 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
36–93（58 aa）
|
Mutation：A14G, A38G | SO4 SULFATE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.5；293.15 K；30% PEG4000; 0.2M Lithium Sulfate; 0.1M Tris-HCl, pH8.5
|
Resolution 1.12 Å R-free 0.193 |
| 5XX4 A BPTI-[5,55] variant with C14GA38K mutations Deposited 2017-07-01 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
36–93（58 aa）
|
Mutation：A14G, A38K | SO4 SULFATE ION × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.5；293.15 K；30% PEG4000; 0.2M Lithium Sulfate; 0.1M Tris-HCL, pH8.5
|
Resolution 1.67 Å R-free 0.220 |
| 5XX4 A BPTI-[5,55] variant with C14GA38K mutations Deposited 2017-07-01 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
36–93（58 aa）
|
Mutation：A14G, A38K | SO4 SULFATE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.5；293.15 K；30% PEG4000; 0.2M Lithium Sulfate; 0.1M Tris-HCL, pH8.5
|
Resolution 1.67 Å R-free 0.220 |
| 5XX5 A BPTI-[5,55] variant with C14GA38I mutations Deposited 2017-07-01 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
36–93（58 aa）
|
Mutation：A14G, A38I | SO4 SULFATE ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.5；293.15 K；30% PEG4000; 0.2M Lithium Sulfate; 0.1M Tris-HCL, pH8.5
|
Resolution 1.38 Å R-free 0.217 |
| 5XX5 A BPTI-[5,55] variant with C14GA38I mutations Deposited 2017-07-01 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
36–93（58 aa）
|
Mutation：A14G, A38I | SO4 SULFATE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.5；293.15 K；30% PEG4000; 0.2M Lithium Sulfate; 0.1M Tris-HCL, pH8.5
|
Resolution 1.38 Å R-free 0.217 |
| 5XX6 Hetero-micro-seeding: Crystal structure of BPTI-[5,55]C14GA38I variant using micro-seeds from -C14GA38G variant Deposited 2017-07-01 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
36–93（58 aa）
|
Mutation：A14G, A38I | SO4 SULFATE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.5；293 K；20-30% PEG4000; 0.2M Lithium Sulfate; 0.1M Tris-HCl pH8.5
|
Resolution 1.31 Å R-free 0.210 |
| 5XX6 Hetero-micro-seeding: Crystal structure of BPTI-[5,55]C14GA38I variant using micro-seeds from -C14GA38G variant Deposited 2017-07-01 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
36–93（58 aa）
|
Mutation：A14G, A38I | SO4 SULFATE ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.5；293 K；20-30% PEG4000; 0.2M Lithium Sulfate; 0.1M Tris-HCl pH8.5
|
Resolution 1.31 Å R-free 0.210 |
| 5XX7 Hetero-micro-seeding: Crystal structure of BPTI-[5,55]C14GA38I variant using micro-seeds from -C14GA38I variant Deposited 2017-07-01 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
36–93（58 aa）
|
Mutation：A14G, A38I | SO4 SULFATE ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.5；293 K；20-30% PEG4000; 0.2M Lithium Sulfate; 0.1M Tris-HCL, H8.5
|
Resolution 1.38 Å R-free 0.218 |
| 5XX7 Hetero-micro-seeding: Crystal structure of BPTI-[5,55]C14GA38I variant using micro-seeds from -C14GA38I variant Deposited 2017-07-01 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain D
36–93（58 aa）
|
Mutation：A14G, A38I | SO4 SULFATE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.5；293 K；20-30% PEG4000; 0.2M Lithium Sulfate; 0.1M Tris-HCL, H8.5
|
Resolution 1.38 Å R-free 0.218 |
| 5XX8 Hetero-micro-seeding: Crystal structure of BPTI-[555]C14GA38I variant using micro-seeds from -C14GA38L variant Deposited 2017-07-01 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
36–93（58 aa）
|
Mutation：A14G, A38I | SO4 SULFATE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.5；293 K；20-30%PEG4000; 0.2M Lithium Sulfate; 0.1M Tris-HCl, pH8.5
|
Resolution 1.30 Å R-free 0.206 |
| 5XX8 Hetero-micro-seeding: Crystal structure of BPTI-[555]C14GA38I variant using micro-seeds from -C14GA38L variant Deposited 2017-07-01 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
36–93（58 aa）
|
Mutation：A14G, A38I | SO4 SULFATE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.5；293 K；20-30%PEG4000; 0.2M Lithium Sulfate; 0.1M Tris-HCl, pH8.5
|
Resolution 1.30 Å R-free 0.206 |
| 5YVU Crystal structures of unlinked full length NS3 from Dengue virus provide insights into dynamics of protease domain Deposited 2017-11-27 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric |
Chain I
36–90（55 aa）
Fragment：UNP residues 36-90
|
Not recorded | GOL GLYCEROL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6；291 K；0.1M MES pH 6.4, 12% PEG6000
|
Resolution 2.49 Å R-free 0.266 |
| 6F1F The methylene thioacetal BPTI (Bovine Pancreatic Trypsin Inhibitor) mutant structure Deposited 2017-11-21 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
36–93（58 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | SO4 SULFATE ION × 5 GOL GLYCEROL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；293 K；2M AmSO4
|
Resolution 1.72 Å R-free 0.207 |
| 6F1F The methylene thioacetal BPTI (Bovine Pancreatic Trypsin Inhibitor) mutant structure Deposited 2017-11-21 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
36–93（58 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | SO4 SULFATE ION × 6 GOL GLYCEROL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；293 K；2M AmSO4
|
Resolution 1.72 Å R-free 0.207 |
| 6F1F The methylene thioacetal BPTI (Bovine Pancreatic Trypsin Inhibitor) mutant structure Deposited 2017-11-21 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain C
36–93（58 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | SO4 SULFATE ION × 5 GOL GLYCEROL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；293 K；2M AmSO4
|
Resolution 1.72 Å R-free 0.207 |
| 6F1F The methylene thioacetal BPTI (Bovine Pancreatic Trypsin Inhibitor) mutant structure Deposited 2017-11-21 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain D
36–93（58 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | SO4 SULFATE ION × 4 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；293 K；2M AmSO4
|
Resolution 1.72 Å R-free 0.207 |
| 6F1F The methylene thioacetal BPTI (Bovine Pancreatic Trypsin Inhibitor) mutant structure Deposited 2017-11-21 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 5 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain E
36–93（58 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | SO4 SULFATE ION × 3 GOL GLYCEROL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；293 K；2M AmSO4
|
Resolution 1.72 Å R-free 0.207 |
| 6F1F The methylene thioacetal BPTI (Bovine Pancreatic Trypsin Inhibitor) mutant structure Deposited 2017-11-21 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 6 Protein homooligomer Homooligomer；Protein × 10 PDB declaration: decameric |
Chain A
36–93（58 aa）
Chain B
36–93（58 aa）
Chain C
36–93（58 aa）
Chain D
36–93（58 aa）
Chain E
36–93（58 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) | SO4 SULFATE ION × 46 GOL GLYCEROL × 8 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；293 K；2M AmSO4
|
Resolution 1.72 Å R-free 0.207 |
| 6PTI STRUCTURE OF FORM III CRYSTALS OF BOVINE PANCREATIC TRYPSIN INHIBITOR Deposited 1987-05-13 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
36–93（58 aa）
|
Not recorded | PO4 PHOSPHATE ION × 1 | X-RAY DIFFRACTION mmCIF provides none of the parsed conditions | Resolution 1.70 Å |
| 7PH1 Trypsin in complex with BPTI mutant (2S)-2-amino-4-monofluorobutanoic acid Deposited 2021-08-16 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain I
37–93（57 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | SO4 SULFATE ION × 13 GOL GLYCEROL × 9 CA CALCIUM ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；291 K；2.2 M ammonium sulfate
|
Resolution 1.18 Å R-free 0.166 |
| 7PTI STRUCTURAL EFFECTS INDUCED BY REMOVAL OF A DISULFIDE BRIDGE. THE X-RAY STRUCTURE OF THE C30A(SLASH)C51A MUTANT OF BASIC PANCREATIC TRYPSIN INHIBITOR AT 1.6 ANGSTROMS Deposited 1990-03-08 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
36–93（58 aa）
|
Not recorded | PO4 PHOSPHATE ION × 1 | X-RAY DIFFRACTION mmCIF provides none of the parsed conditions | Resolution 1.60 Å |
| 7QIQ CRYSTAL STRUCTURE OF THE P1 aminobutanoic acid (ABU) BPTI MUTANT- BOVINE CHYMOTRYPSIN COMPLEX Deposited 2021-12-15 | Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 8 PDB declaration: octameric |
Chain D
36–93（58 aa）
Chain H
36–93（58 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) | GOL GLYCEROL × 29 SO4 SULFATE ION × 15 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；1.8 M ammonium sulfate and 0.1 M MES/NaOH (pH 6.5).
|
Resolution 1.85 Å R-free 0.188 |
| 7QIR CRYSTAL STRUCTURE OF THE P1 monofluorethylglycine(MfeGly) BPTI MUTANT- BOVINE CHYMOTRYPSIN COMPLEX Deposited 2021-12-15 | Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 8 PDB declaration: octameric |
Chain D
36–93（58 aa）
Chain H
36–93（58 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) | GOL GLYCEROL × 28 SO4 SULFATE ION × 17 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；1.8 M ammonium sulfate and 0.1 M MES/NaOH (pH 6.5)
|
Resolution 1.90 Å R-free 0.189 |
| 7QIS CRYSTAL STRUCTURE OF THE P1 difluoroethylglycine (DfeGly) BPTI MUTANT- BOVINE CHYMOTRYPSIN COMPLEX Deposited 2021-12-15 | Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 8 PDB declaration: octameric |
Chain D
36–93（58 aa）
Chain H
36–93（58 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) | GOL GLYCEROL × 29 SO4 SULFATE ION × 15 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；1.8 M ammonium sulfate and 0.1 M MES/NaOH (pH 6.5)
|
Resolution 1.83 Å R-free 0.189 |
| 7QIT CRYSTAL STRUCTURE OF THE P1 trifluoroethylglycine (TfeGly) BPTI MUTANT- BOVINE CHYMOTRYPSIN COMPLEX Deposited 2021-12-15 | Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 8 PDB declaration: octameric |
Chain D
36–93（58 aa）
Chain H
36–93（58 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) | GOL GLYCEROL × 30 SO4 SULFATE ION × 20 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；1.8 M ammonium sulfate and 0.1 M MES/NaOH (pH 6.5)
|
Resolution 1.99 Å R-free 0.191 |
| 8PTI CRYSTAL STRUCTURE OF A Y35G MUTANT OF BOVINE PANCREATIC TRYPSIN INHIBITOR Deposited 1990-12-17 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
36–93（58 aa）
|
Not recorded | No recorded non-water small molecule | X-RAY DIFFRACTION mmCIF provides none of the parsed conditions | Resolution 1.80 Å |
| 9PTI BASIC PANCREATIC TRYPSIN INHIBITOR (MET 52 OXIDIZED) Deposited 1991-04-08 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
36–93（58 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | PO4 PHOSPHATE ION × 1 | X-RAY DIFFRACTION mmCIF provides none of the parsed conditions | Resolution 1.22 Å |
123 other PDB entries and 265 assemblies. Open the comparison page and filter oligomeric states
View Construct and Data Evidence
| UniProt name | BPT1_BOVIN |
| Isoform | — |
| PDB entities | 1, 2 |
| Chains and sequence ranges | Author chain A； PDBConstruct 1–25； UniProt 49–73 Author chain B； PDBConstruct 1–25； UniProt 49–73 |
