THERMOLYSIN FRAGMENT 255 - 316
Bacillus thermoproteolyticus
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 255–316 Chain B； UniProt 255–316 | Not recorded | No other associated polymer | SOLUTION NMR mmCIF provides none of the parsed experimental conditions | 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 1TRL | Assembly / Oligomeric State | Construct | Mutations and Modifications | Ligands, Ions and Non-polymers | Method and Experimental Conditions | Structure Quality |
|---|---|---|---|---|---|---|---|
| 1FJ3 THERMOLYSIN (50% ACETONE SOAKED) Deposited 2000-08-07 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–316（316 aa）
|
Not recorded | ZN ZINC ION × 1 CA CALCIUM ION × 4 DMS DIMETHYL SULFOXIDE × 1 ACN ACETONE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.5；298 K；4.6MM THERMOLYSIN, 45% DMSO, 50MM TRIS-HCL, 2.5M CSCL, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K
|
Resolution 2.00 Å R-free 0.205 |
| 1FJO THERMOLYSIN (60% ACETONE SOAKED CRYSTALS) Deposited 2000-08-08 | 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
1–316（316 aa）
|
Not recorded | ZN ZINC ION × 1 CA CALCIUM ION × 4 DMS DIMETHYL SULFOXIDE × 1 ACN ACETONE × 5 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.5；298 K；4.6MM THERMOLYSIN, 45% DMSO, 50MM TRIS-HCL, 2.5M CSCL, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K
|
Resolution 2.00 Å R-free 0.207 |
| 1FJQ THERMOLYSIN (70% ACETONE SOAKED CRYSTALS) Deposited 2000-08-08 | 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
1–316（316 aa）
|
Not recorded | ZN ZINC ION × 1 CA CALCIUM ION × 4 DMS DIMETHYL SULFOXIDE × 1 ACN ACETONE × 6 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.5；298 K；4.6MM THERMOLYSIN, 45% DMSO, 50MM TRIS-HCL, 2.5M CSCL, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K
|
Resolution 1.70 Å R-free 0.203 |
| 1FJT THERMOLYSIN (50% ACETONITRILE SOAKED CRYSTALS) Deposited 2000-08-08 | 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
1–316（316 aa）
|
Not recorded | ZN ZINC ION × 1 CA CALCIUM ION × 4 DMS DIMETHYL SULFOXIDE × 1 VAL VALINE × 1 LYS LYSINE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.5；298 K；4.6MM THERMOLYSIN, 45% DMSO, 50MM TRIS-HCL, 2.5M CSCL, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K
|
Resolution 2.20 Å R-free 0.209 |
| 1FJU THERMOLYSIN (80% ACETONITRILE SOAKED CRYSTALS) Deposited 2000-08-08 | 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
1–316（316 aa）
|
Not recorded | ZN ZINC ION × 1 CA CALCIUM ION × 4 DMS DIMETHYL SULFOXIDE × 1 CCN ACETONITRILE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.5；298 K；4.6MM THERMOLYSIN, 45% DMSO, 50MM TRIS-HCL, 2.5M CSCL, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K
|
Resolution 2.00 Å R-free 0.205 |
| 1FJV THERMOLYSIN (60% ACETONITRILE SOAKED CRYSTALS) Deposited 2000-08-08 | 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
1–316（316 aa）
|
Not recorded | ZN ZINC ION × 1 CA CALCIUM ION × 4 DMS DIMETHYL SULFOXIDE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.5；298 K；4.6MM THERMOLYSIN, 45% DMSO, 50MM TRIS-HCL, 2.5M CSCL, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K
|
Resolution 2.00 Å R-free 0.206 |
| 1FJW THERMOLYSIN (50 MM PHENOL SOAKED) Deposited 2000-08-08 | 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
1–316（316 aa）
|
Not recorded | ZN ZINC ION × 1 CA CALCIUM ION × 4 DMS DIMETHYL SULFOXIDE × 1 IPH PHENOL × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.5；298 K；4.6MM THERMOLYSIN, 45% DMSO, 50MM TRIS-HCL, 2.5M CSCL, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K
|
Resolution 1.90 Å R-free 0.194 |
| 1GXW the 2.2 A resolution structure of thermolysin crystallized in presence of potassium thiocyanate Deposited 2002-04-12 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–316（316 aa）
|
Not recorded | VAL VALINE × 1 LYS LYSINE × 1 CA CALCIUM ION × 4 ZN ZINC ION × 1 SCN THIOCYANATE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.3；0.5MICROL HANGING DROP CONTAINING 87MG/ML OF THERMOLYSIN IN BUFFER A (50MM TRIS/HCL PH8.3, 1M KSCN, 20MM CACL2) WAS EQUILIBRATED AGAINST 740MICROL BUFFER A AND 260MICROL WATER (SALTING-IN METHOD), pH 8.30
|
Resolution 2.18 Å R-free 0.215 |
| 1HYT RE-DETERMINATION AND REFINEMENT OF THE COMPLEX OF BENZYLSUCCINIC ACID WITH THERMOLYSIN AND ITS RELATION TO THE COMPLEX WITH CARBOXYPEPTIDASE A Deposited 1994-05-04 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–316（316 aa）
|
Not recorded | CA CALCIUM ION × 4 ZN ZINC ION × 1 DMS DIMETHYL SULFOXIDE × 1 BZS L-BENZYLSUCCINIC ACID × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7.2；pH 7.2
|
Resolution 1.70 Å |
| 1KEI Thermolysin (substrate-free) Deposited 2001-11-16 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–316（316 aa）
|
Not recorded | CA CALCIUM ION × 4 ZN ZINC ION × 1 VAL VALINE × 1 LYS LYSINE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7；293 K；DMSO, Calcium Acetate, Tris, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K
|
Resolution 1.60 Å R-free 0.188 |
| 1KJO Thermolysin complexed with Z-L-Threonine (benzyloxycarbonyl-L-Threonine) Deposited 2001-12-05 | 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
1–316（316 aa）
|
Not recorded | CA CALCIUM ION × 4 ZN ZINC ION × 1 PHQ benzyl chlorocarbonate × 1 THR THREONINE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7；293 K；DMSO, Calcium Acetate, Tris, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K
|
Resolution 1.60 Å R-free 0.182 |
| 1KJP Thermolysin complexed with Z-L-Glutamic acid (benzyloxycarbonyl-L-Glutamic acid) Deposited 2001-12-05 | 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
1–316（316 aa）
|
Not recorded | CA CALCIUM ION × 4 ZN ZINC ION × 1 PHQ benzyl chlorocarbonate × 1 GLU GLUTAMIC ACID × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7；293 K；DMSO, Calcium Acetate, Tris, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K
|
Resolution 1.60 Å R-free 0.180 |
| 1KKK Thermolysin complexed with Z-L-Aspartic Acid (benzyloxycarbonyl-L-Aspartic Acid) Deposited 2001-12-10 | 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
1–316（316 aa）
|
Not recorded | CA CALCIUM ION × 4 ZN ZINC ION × 1 PHQ benzyl chlorocarbonate × 1 ASP ASPARTIC ACID × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7；293 K；DMSO, Calcium Acetate, Tris, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K
|
Resolution 1.60 Å R-free 0.189 |
| 1KL6 Thermolysin complexed with Z-L-Alanine (benzyloxycarbonyl-L-Alanine) Deposited 2001-12-11 | 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
1–316（316 aa）
|
Not recorded | CA CALCIUM ION × 4 ZN ZINC ION × 1 PHQ benzyl chlorocarbonate × 1 ALA ALANINE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7；293 K；DMSO, Calcium Acetate, Tris, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K
|
Resolution 1.80 Å R-free 0.180 |
| 1KR6 Thermolysin complexed with Z-D-Glutamic acid (benzyloxycarbonyl-D-Glutamic acid) Deposited 2002-01-09 | 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
1–316（316 aa）
|
Not recorded | CA CALCIUM ION × 4 ZN ZINC ION × 1 PHQ benzyl chlorocarbonate × 1 DGL D-GLUTAMIC ACID × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7；293 K；DMSO, Calcium Acetate, Tris, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K
|
Resolution 1.80 Å R-free 0.181 |
| 1KRO Thermolysin complexed with Z-D-Threonine (benzyloxycarbonyl-D-Threonine) Deposited 2002-01-10 | 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
1–316（316 aa）
|
Not recorded | CA CALCIUM ION × 4 ZN ZINC ION × 1 PHQ benzyl chlorocarbonate × 1 DTH D-THREONINE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7；293 K；DMSO, Calcium Acetate, Tris, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K
|
Resolution 1.70 Å R-free 0.182 |
| 1KS7 Thermolysin complexed with Z-D-Aspartic acid (benzyloxycarbonyl-D-Aspartic acid) Deposited 2002-01-11 | 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
1–316（316 aa）
|
Not recorded | CA CALCIUM ION × 4 ZN ZINC ION × 1 PHQ benzyl chlorocarbonate × 1 DAS D-ASPARTIC ACID × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7；293 K；DMSO, Calcium Acetate, Tris, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K
|
Resolution 1.70 Å R-free 0.186 |
| 1KTO Thermolysin complexed with Z-D-Alanine (benzyloxycarbonyl-D-Alanine) Deposited 2002-01-17 | 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
1–316（316 aa）
|
Not recorded | CA CALCIUM ION × 4 ZN ZINC ION × 1 PHQ benzyl chlorocarbonate × 1 DAL D-ALANINE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7；293 K；DMSO, Calcium Acetate, Tris, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K
|
Resolution 1.90 Å R-free 0.185 |
| 1L3F Thermolysin in the Absence of Substrate has an Open Conformation Deposited 2002-02-26 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain E
1–316（316 aa）
|
Not recorded | CA CALCIUM ION × 4 ZN ZINC ION × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6；298 K；MES, dimethylsulfoxide, NaCl, Zn Acetate, pH 6.00, VAPOR DIFFUSION, SITTING DROP, temperature 298K
|
Resolution 2.30 Å R-free 0.302 |
| 1LNA A STRUCTURAL ANALYSIS OF METAL SUBSTITUTIONS IN THERMOLYSIN Deposited 1994-05-13 | 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 E
1–316（316 aa）
|
Not recorded | VAL VALINE × 1 LYS LYSINE × 1 CO COBALT (II) ION × 2 CA CALCIUM ION × 3 DMS DIMETHYL SULFOXIDE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7.2；pH 7.2
|
Resolution 1.90 Å |
| 1LNB A STRUCTURAL ANALYSIS OF METAL SUBSTITUTIONS IN THERMOLYSIN Deposited 1994-05-13 | 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 E
1–316（316 aa）
|
Not recorded | VAL VALINE × 1 LYS LYSINE × 1 FE FE (III) ION × 1 CA CALCIUM ION × 4 DMS DIMETHYL SULFOXIDE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7.2；pH 7.2
|
Resolution 1.80 Å |
| 1LNC A STRUCTURAL ANALYSIS OF METAL SUBSTITUTIONS IN THERMOLYSIN Deposited 1994-05-13 | 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 E
1–316（316 aa）
|
Not recorded | VAL VALINE × 1 LYS LYSINE × 1 MN MANGANESE (II) ION × 3 CA CALCIUM ION × 2 DMS DIMETHYL SULFOXIDE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7.2；pH 7.2
|
Resolution 1.80 Å |
| 1LND A STRUCTURAL ANALYSIS OF METAL SUBSTITUTIONS IN THERMOLYSIN Deposited 1994-05-13 | 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 E
1–316（316 aa）
|
Not recorded | VAL VALINE × 1 LYS LYSINE × 1 ZN ZINC ION × 2 CA CALCIUM ION × 4 DMS DIMETHYL SULFOXIDE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7.2；pH 7.2
|
Resolution 1.70 Å |
| 1LNE A STRUCTURAL ANALYSIS OF METAL SUBSTITUTIONS IN THERMOLYSIN Deposited 1994-05-13 | 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 E
1–316（316 aa）
|
Not recorded | VAL VALINE × 1 LYS LYSINE × 1 CD CADMIUM ION × 4 CA CALCIUM ION × 2 DMS DIMETHYL SULFOXIDE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7.2；pH 7.2
|
Resolution 1.70 Å |
| 1LNF A structural analysis of metal substitutions in thermolysin Deposited 1994-05-13 | 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 E
1–316（316 aa）
|
Not recorded | VAL VALINE × 1 LYS LYSINE × 1 ZN ZINC ION × 1 CA CALCIUM ION × 4 DMS DIMETHYL SULFOXIDE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7.2；pH 7.2
|
Resolution 1.70 Å |
| 1OS0 Thermolysin with an alpha-amino phosphinic inhibitor Deposited 2003-03-18 | 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
233–548（316 aa）
|
Not recorded | ZN ZINC ION × 1 CA CALCIUM ION × 4 0PQ N-{(2R)-3-[(S)-[(1R)-1-amino-2-phenylethyl](hydroxy)phosphoryl]-2-benzylpropanoyl}-L-phenylalanine × 1 DMS DIMETHYL SULFOXIDE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8；278 K；DMSO, CaCl2, pH 8.00, VAPOR DIFFUSION, HANGING DROP, temperature 278K
|
Resolution 2.10 Å R-free 0.179 |
| 1OS0 Thermolysin with an alpha-amino phosphinic inhibitor Deposited 2003-03-18 | 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
233–548（316 aa）
|
Not recorded | ZN ZINC ION × 2 CA CALCIUM ION × 8 0PQ N-{(2R)-3-[(S)-[(1R)-1-amino-2-phenylethyl](hydroxy)phosphoryl]-2-benzylpropanoyl}-L-phenylalanine × 2 DMS DIMETHYL SULFOXIDE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8；278 K；DMSO, CaCl2, pH 8.00, VAPOR DIFFUSION, HANGING DROP, temperature 278K
|
Resolution 2.10 Å R-free 0.179 |
| 1PE5 Thermolysin with tricyclic inhibitor Deposited 2003-05-21 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–316（316 aa）
|
Not recorded | ZN ZINC ION × 1 CA CALCIUM ION × 4 BR3 (6-METHYL-3,4-DIHYDRO-2H-CHROMEN-2-YL)METHYLPHOSPHINATE × 1 LEU LEUCINE × 1 LEN 3-METHYLBUTAN-1-AMINE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；298 K；VAPOR DIFFUSION, temperature 298K
|
Resolution 1.70 Å |
| 1PE7 Thermolysin with bicyclic inhibitor Deposited 2003-05-21 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–316（316 aa）
|
Not recorded | ZN ZINC ION × 1 CA CALCIUM ION × 4 4BR 2-(4-METHYLPHENOXY)ETHYLPHOSPHINATE × 1 LEU LEUCINE × 1 LEN 3-METHYLBUTAN-1-AMINE × 1 DMS DIMETHYL SULFOXIDE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；298 K；VAPOR DIFFUSION, temperature 298K
|
Resolution 1.82 Å |
| 1PE8 Thermolysin with monocyclic inhibitor Deposited 2003-05-21 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–316（316 aa）
|
Not recorded | ZN ZINC ION × 1 CA CALCIUM ION × 4 BR5 2-ETHOXYETHYLPHOSPHINATE × 1 LEU LEUCINE × 1 LEN 3-METHYLBUTAN-1-AMINE × 1 DMS DIMETHYL SULFOXIDE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；298 K；VAPOR DIFFUSION, temperature 298K
|
Resolution 1.80 Å |
| 1QF0 THERMOLYSIN (E.C.3.4.24.27) COMPLEXED WITH (2-SULPHANYL-3-PHENYLPROPANOYL)-PHE-TYR. PARAMETERS FOR ZN-BIDENTATION OF MERCAPTOACYLDIPEPTIDES IN METALLOENDOPEPTIDASE Deposited 1999-04-06 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–316（316 aa）
|
Not recorded | ZN ZINC ION × 1 CA CALCIUM ION × 4 TI2 (2-SULFANYL-3-PHENYLPROPANOYL)-PHE-TYR × 1 DMS DIMETHYL SULFOXIDE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 8；pH 8.0
|
Resolution 2.20 Å R-free 0.216 |
| 1QF1 THERMOLYSIN (E.C.3.4.24.27) COMPLEXED WITH (2-SULPHANYLHEPTANOYL)-PHE-ALA. PARAMETERS FOR ZN-BIDENTATION OF MERCAPTOACYLDIPEPTIDES IN METALLOENDOPEPTIDASE Deposited 1999-04-06 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–316（316 aa）
|
Not recorded | ZN ZINC ION × 1 CA CALCIUM ION × 4 TI1 [2(R,S)-2-SULFANYLHEPTANOYL]-PHE-ALA × 1 DMS DIMETHYL SULFOXIDE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 8；pH 8.0
|
Resolution 2.00 Å R-free 0.224 |
| 1QF2 THERMOLYSIN (E.C.3.4.24.27) COMPLEXED WITH (2-SULPHANYL-3-PHENYLPROPANOYL)-GLY-(5-PHENYLPROLINE). PARAMETERS FOR ZN-MONODENTATION OF MERCAPTOACYLDIPEPTIDES IN METALLOENDOPEPTIDASE Deposited 1999-04-06 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–316（316 aa）
|
Not recorded | ZN ZINC ION × 1 CA CALCIUM ION × 4 TI3 [(2S)-2-SULFANYL-3-PHENYLPROPANOYL]-GLY-(5-PHENYLPROLINE) × 1 DMS DIMETHYL SULFOXIDE × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 8；pH 8.0
|
Resolution 2.06 Å R-free 0.222 |
| 1THL Thermolysin complexed with a novel glutaramide derivative, n-(1-(2(r,s)-carboxy-4-phenylbutyl) cyclopentylcarbonyl)-(s)-tryptophan Deposited 1993-11-17 | 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
233–548（316 aa）
|
Not recorded | CA CALCIUM ION × 4 ZN ZINC ION × 1 0DB N-({1-[(2S)-2-carboxy-4-phenylbutyl]cyclopentyl}carbonyl)-L-tryptophan × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7.2；277 K；TRIS ACETATE, CALCIUM ACETATE, DMSO, PH 7.2, DILUTION WITH H2O, TEMPERATURE 277K
|
Resolution 1.70 Å |
| 1TLI THERMOLYSIN (2% ISOPROPANOL SOAKED CRYSTALS) Deposited 1998-10-27 | 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
1–316（316 aa）
|
Not recorded | ZN ZINC ION × 2 CA CALCIUM ION × 8 DMS DIMETHYL SULFOXIDE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7.5；pH 7.5
|
Resolution 2.05 Å R-free 0.219 |
| 1TLP CRYSTALLOGRAPHIC STRUCTURAL ANALYSIS OF PHOSPHORAMIDATES AS INHIBITORS AND TRANSITION-STATE ANALOGS OF THERMOLYSIN Deposited 1987-06-29 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain E
1–316（316 aa）
|
Not recorded | RDF N-ALPHA-L-RHAMNOPYRANOSYLOXY(HYDROXYPHOSPHINYL)-L-LEUCYL-L-TRYPTOPHAN × 1 CA CALCIUM ION × 4 ZN ZINC ION × 1 | X-RAY DIFFRACTION mmCIF provides none of the parsed conditions | Resolution 2.30 Å |
| 1TLX THERMOLYSIN (NATIVE) Deposited 1998-11-02 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–316（316 aa）
|
Not recorded | VAL VALINE × 1 LYS LYSINE × 1 ZN ZINC ION × 1 CA CALCIUM ION × 4 DMS DIMETHYL SULFOXIDE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7.5；pH 7.5
|
Resolution 2.10 Å R-free 0.214 |
| 1TMN Binding of n-carboxymethyl dipeptide inhibitors to thermolysin determined by x-ray crystallography. a novel class of transition-state analogues for zinc peptidases Deposited 1987-06-29 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain E
1–316（316 aa）
|
Not recorded | 0ZN N-[(1R)-1-carboxy-3-phenylpropyl]-L-leucyl-L-tryptophan × 1 CA CALCIUM ION × 4 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7.2；pH 7.2
|
Resolution 1.90 Å |
| 1Y3G Crystal Structure of a Silanediol Protease Inhibitor Bound to Thermolysin Deposited 2004-11-24 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain E
233–548（316 aa）
|
Not recorded | CA CALCIUM ION × 4 ZN ZINC ION × 1 DMS DIMETHYL SULFOXIDE × 2 3PL 3-PHENYLPROPANAL × 1 AMM (2S)-2-{[(AMINOMETHYL)(DIHYDROXY)SILYL]METHYL}-4-METHYLPENTANAL × 1 LEU LEUCINE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 6；294 K；MES, DMSO, Ammonium Sulfate, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 294K, pH 6.00
|
Resolution 2.10 Å R-free 0.225 |
| 1Z9G Crystal Structure Analysis of Thermolysin Complexed with the Inhibitor (R)-retro-thiorphan Deposited 2005-04-01 | 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 E
233–548（316 aa）
|
Not recorded | CA CALCIUM ION × 4 ZN ZINC ION × 1 RRT (R)-RETRO-THIORPHAN × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
dilution with H2O；pH 7.2；277 K；Tris acetate, calcium acetate, DMSO, pH 7.2, dilution with H2O, temperature 277K
|
Resolution 1.70 Å |
| 1ZDP Crystal Structure Analysis of Thermolysin Complexed with the Inhibitor (S)-thiorphan Deposited 2005-04-14 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain E
233–548（316 aa）
|
Not recorded | CA CALCIUM ION × 4 ZN ZINC ION × 1 TIO (2-MERCAPTOMETHYL-3-PHENYL-PROPIONYL)-GLYCINE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
dilution with H2O；pH 7.2；277 K；Tris acetate, calcium acetate, DMSO, pH 7.20, dilution with H2O, temperature 277K
|
Resolution 1.70 Å |
| 2A7G On the Routine Use of Soft X-Rays in Macromolecular Crystallography, Part III- The Optimal Data Collection Wavelength Deposited 2005-07-05 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain E
1–316（316 aa）
|
Not recorded | ZN ZINC ION × 1 CA CALCIUM ION × 6 DMS DIMETHYL SULFOXIDE × 2 ACY ACETIC ACID × 1 | X-RAY DIFFRACTION mmCIF provides none of the parsed conditions | Resolution 1.85 Å R-free 0.189 |
| 2G4Z anomalous substructure of thermolysin Deposited 2006-02-22 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
233–548（316 aa）
|
Not recorded | ZN ZINC ION × 1 CA CALCIUM ION × 3 CL CHLORIDE ION × 8 SO4 SULFATE ION × 1 | X-RAY DIFFRACTION mmCIF provides none of the parsed conditions | Resolution 1.98 Å R-free 0.237 |
| 2TLI THERMOLYSIN (5% ISOPROPANOL SOAKED CRYSTALS) Deposited 1998-10-28 | 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
1–316（316 aa）
|
Not recorded | ZN ZINC ION × 2 CA CALCIUM ION × 8 DMS DIMETHYL SULFOXIDE × 2 IPA ISOPROPYL ALCOHOL × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7.5；pH 7.50
|
Resolution 1.95 Å R-free 0.211 |
| 2TLX THERMOLYSIN (NATIVE) Deposited 1999-01-28 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–316（316 aa）
|
Not recorded | VAL VALINE × 1 LYS LYSINE × 1 ZN ZINC ION × 1 CA CALCIUM ION × 4 DMS DIMETHYL SULFOXIDE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7.5；pH 7.5
|
Resolution 1.65 Å R-free 0.187 |
| 2TMN CRYSTALLOGRAPHIC STRUCTURAL ANALYSIS OF PHOSPHORAMIDATES AS INHIBITORS AND TRANSITION-STATE ANALOGS OF THERMOLYSIN Deposited 1987-06-29 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain E
233–548（316 aa）
|
Not recorded | CA CALCIUM ION × 4 ZN ZINC ION × 1 0FA N~2~-phosphono-L-leucinamide × 1 | X-RAY DIFFRACTION mmCIF provides none of the parsed conditions | Resolution 1.60 Å |
| 2WHZ Dipeptide Inhibitors of Thermolysin Deposited 2009-05-07 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
233–548（316 aa）
|
Not recorded | ILE ISOLEUCINE × 1 TYR TYROSINE × 1 ZN ZINC ION × 1 CA CALCIUM ION × 4 PEG DI(HYDROXYETHYL)ETHER × 1 | X-RAY DIFFRACTION mmCIF provides none of the parsed conditions | Resolution 1.75 Å R-free 0.197 |
| 2WI0 Dipeptide Inhibitors of Thermolysin Deposited 2009-05-07 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
233–548（316 aa）
|
Not recorded | LEU LEUCINE × 1 TRP TRYPTOPHAN × 1 ZN ZINC ION × 1 CA CALCIUM ION × 4 PEG DI(HYDROXYETHYL)ETHER × 1 | X-RAY DIFFRACTION mmCIF provides none of the parsed conditions | Resolution 1.95 Å R-free 0.219 |
| 3DNZ Thermolysin by LB nanotemplate method before high X-Ray dose on ESRF ID14-2 beamline Deposited 2008-07-03 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
233–548（316 aa）
|
Not recorded | CA CALCIUM ION × 4 ZN ZINC ION × 1 VAL VALINE × 1 LYS LYSINE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6；293 K；DMSO, Ammonium sulfate, MES, hanging drop, 293K, pH6.0, VAPOR DIFFUSION, HANGING DROP
|
Resolution 1.20 Å R-free 0.267 |
| 3DO0 Thermolysin by classical hanging drop method after high X-Ray dose on esrf ID14-2 beamline Deposited 2008-07-03 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
233–548（316 aa）
|
Not recorded | CA CALCIUM ION × 4 ZN ZINC ION × 1 VAL VALINE × 1 LYS LYSINE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6；293 K；DMSO, Ammonium sulfate, MES, hanging drop, 293K, pH6.0, VAPOR DIFFUSION, HANGING DROP
|
Resolution 1.36 Å R-free 0.255 |
| 3DO1 Thermolysin by Classical hanging drop method before high X-Ray dose on ESRF ID14-2 beamline Deposited 2008-07-03 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
233–548（316 aa）
|
Not recorded | CA CALCIUM ION × 4 ZN ZINC ION × 1 VAL VALINE × 1 LYS LYSINE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6；293 K；DMSO, Ammonium sulfate, MES, hanging drop, 293K, pH6.0, VAPOR DIFFUSION, HANGING DROP
|
Resolution 1.33 Å R-free 0.277 |
| 3DO2 Thermolysin by LB nanotemplate method after high X-Ray dose on ESRF ID14-2 beamline Deposited 2008-07-03 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
233–548（316 aa）
|
Not recorded | CA CALCIUM ION × 4 ZN ZINC ION × 1 VAL VALINE × 1 LYS LYSINE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6；293 K；DMSO, Ammonium sulfate, MES, hanging drop, 293K, pH6.0, VAPOR DIFFUSION, HANGING DROP
|
Resolution 1.22 Å R-free 0.261 |
| 3EIM Metal exchange in Thermolysin Deposited 2008-09-16 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
233–548（316 aa）
Fragment：UNP residues 233-548
|
Not recorded | CU1 COPPER (I) ION × 1 CA CALCIUM ION × 4 GOL GLYCEROL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.5；288 K；50mM Tris/HCl, 50%DMSO, 1,9MCsCl, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 288K
|
Resolution 1.88 Å R-free 0.252 |
| 3F28 Thermolysin inhibition Deposited 2008-10-29 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
233–548（316 aa）
Fragment：UNP residues 233-548
|
Not recorded | CA CALCIUM ION × 4 ZN ZINC ION × 1 S7B 2-[(cyclopropylcarbonyl)oxy]-3-methylbenzoic acid × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.5；288 K；50mMTris/HCl, 50%DMSO, 1.9MCsCl, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 288K
|
Resolution 1.68 Å R-free 0.236 |
| 3F2P Thermolysin inhibition Deposited 2008-10-30 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
233–548（316 aa）
Fragment：UNP residues 233-548
|
Not recorded | CA CALCIUM ION × 3 ZN ZINC ION × 1 S3B 3-methyl-2-(propanoyloxy)benzoic acid × 1 DMS DIMETHYL SULFOXIDE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.5；288 K；50mM Tris/HCl, 50%DMSO, 1.9MCsCl, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 288K
|
Resolution 1.95 Å R-free 0.273 |
| 3FB0 Metal exchange in thermolysin Deposited 2008-11-18 | 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
233–548（316 aa）
Fragment：UNP residues 233-548
|
Not recorded | CA CALCIUM ION × 4 DMS DIMETHYL SULFOXIDE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.5；288 K；50mM Tris/HCl, 50%DMSO, 1,9MCsCl, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 288K
|
Resolution 1.60 Å R-free 0.227 |
| 3FBO Metal exchange in Thermolysin Deposited 2008-11-19 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
233–548（316 aa）
Fragment：UNP residues 233-548
|
Not recorded | CU COPPER (II) ION × 1 CA CALCIUM ION × 4 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.5；288 K；50mM Tris/HCl, 50%DMSO, 1.9MCsCl, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 288K
|
Resolution 1.92 Å R-free 0.260 |
| 3FCQ Thermolysin inhibition Deposited 2008-11-22 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
233–548（316 aa）
Fragment：UNP residues 233-548
|
Not recorded | ZN ZINC ION × 1 CA CALCIUM ION × 4 M3S 2-(acetyloxy)-3-methylbenzoic acid × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.5；288 K；50mM Tris/HCl, 50%DMSO, 1.9MCsCl, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 288K
|
Resolution 1.75 Å R-free 0.231 |
| 3FGD Drugscore FP: Thermoylsin in complex with fragment. Deposited 2008-12-05 | 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
233–548（316 aa）
Fragment：UNP residues 233-548
|
Not recorded | CA CALCIUM ION × 4 ZN ZINC ION × 1 BYA N-(phenylcarbonyl)-beta-alanine × 1 DMS DIMETHYL SULFOXIDE × 1 GOL GLYCEROL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.5；288 K；50mM Tris/HCl, 50% DMSO, 1.9M CsCl, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 288K
|
Resolution 1.33 Å R-free 0.189 |
| 3FLF Thermolysin inhibition Deposited 2008-12-18 | 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
233–548（316 aa）
Fragment：UNP residues 233-548
|
Not recorded | CA CALCIUM ION × 4 ZN ZINC ION × 1 UB3 N-[(S)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-L-valyl-L-leucine × 1 GOL GLYCEROL × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.5；288 K；50mM Tris/HCl, 50% DMSO, 1.9 MCsCl, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 288K
|
Resolution 1.97 Å R-free 0.265 |
| 3FOR Thermolysin Complexed with BNPA (2-Benzyl-3-Nitro Propanoic Acid Amide) Deposited 2008-12-31 | 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
233–548（316 aa）
|
Not recorded | CA CALCIUM ION × 4 ZN ZINC ION × 1 DMS DIMETHYL SULFOXIDE × 1 ZNP (2R)-2-benzyl-3-nitropropanamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
hanging drop；pH 7.2；289 K；Ca(OAc)2, pH 7.2, hanging drop, temperature 289K
|
Resolution 1.93 Å R-free 0.213 |
| 3FV4 Thermolysin inhibition Deposited 2009-01-15 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
233–548（316 aa）
Fragment：UNP residues 233-548
|
Not recorded | CA CALCIUM ION × 4 ZN ZINC ION × 1 1U4 N-[(S)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-L-phenylalanyl-L-leucine × 1 GOL GLYCEROL × 2 DMS DIMETHYL SULFOXIDE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.5；288 K；50mM Tris/HCl, 50% DMSO, 1.9MCsCl, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 288K
|
Resolution 1.56 Å R-free 0.218 |
| 3FVP Thermolysin inhibition Deposited 2009-01-16 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
233–548（316 aa）
|
Not recorded | CA CALCIUM ION × 4 ZN ZINC ION × 1 GOL GLYCEROL × 3 UB2 N-[(S)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-L-alanyl-L-leucine × 1 DMS DIMETHYL SULFOXIDE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.5；288 K；50mM Tris/HCl, 50%DMSO, 1.9MCsCl, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 288K
|
Resolution 1.41 Å R-free 0.193 |
| 3FXP Thermolysin inhibition Deposited 2009-01-21 | 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
233–548（316 aa）
Fragment：UNP residues 233-548
|
Not recorded | CA CALCIUM ION × 4 ZN ZINC ION × 1 D38 N~2~-[(2S)-2-{[1-(4-carboxybenzyl)-1H-1,2,3-triazol-4-yl]methyl}-3-methylbutanoyl]-L-lysine × 1 GLO D-glucose × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.5；288 K；50mM Tris/HCl, 50%DMSO, 1.9MCsCl, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 288K
|
Resolution 2.05 Å R-free 0.265 |
| 3FXS Metal exchange in thermolysin Deposited 2009-01-21 | 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
233–548（316 aa）
Fragment：UNP residues 233-548
|
Not recorded | CA CALCIUM ION × 4 RU RUTHENIUM ION × 1 GOL GLYCEROL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.5；288 K；50mM Tris/HCl, 50%DMSO, 1.9MCsCl, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 288K
|
Resolution 1.55 Å R-free 0.231 |
| 3LS7 Crystal structure of Thermolysin in complex with Xenon Deposited 2010-02-12 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
233–548（316 aa）
Fragment：UNP residues 233-548
|
Not recorded | XE XENON × 1 CA CALCIUM ION × 4 ZN ZINC ION × 1 VAL VALINE × 1 LYS LYSINE × 1 GOL GLYCEROL × 6 DMS DIMETHYL SULFOXIDE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.5；288 K；50 mM Tris/HCl, 50 % DMSO, 1.8 M CsCl, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 288K
|
Resolution 1.98 Å R-free 0.234 |
| 3MS3 Crystal structure of Thermolysin in complex with Aniline Deposited 2010-04-29 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
233–548（316 aa）
|
Not recorded | ZN ZINC ION × 1 CA CALCIUM ION × 4 ANL ANILINE × 1 IPA ISOPROPYL ALCOHOL × 1 GOL GLYCEROL × 5 DMS DIMETHYL SULFOXIDE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.5；288 K；50 mM Tris/HCl, 50 % DMSO, 1.8 M CsCl, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 288K
|
Resolution 1.54 Å R-free 0.192 |
| 3MSA Crystal structure of Thermolysin in complex with 3-Bromophenol Deposited 2010-04-29 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
233–548（316 aa）
|
Not recorded | B3R 3-bromophenol × 2 ZN ZINC ION × 1 CA CALCIUM ION × 4 GOL GLYCEROL × 2 IPA ISOPROPYL ALCOHOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.5；288 K；50 mM Tris/HCl, 50 % DMSO, 1.8 CsCl, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 288K
|
Resolution 1.66 Å R-free 0.200 |
| 3MSF Crystal structure of Thermolysin in complex with Urea Deposited 2010-04-29 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
233–548（316 aa）
|
Not recorded | ZN ZINC ION × 1 CA CALCIUM ION × 4 URE UREA × 1 GOL GLYCEROL × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.5；288 K；50 mM Tris/HCl, 50 % DMSO, 1.8 M CsCl, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 288K
|
Resolution 2.09 Å R-free 0.248 |
| 3MSN Crystal structure of Thermolysin in complex with N-methylurea Deposited 2010-04-29 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
233–548（316 aa）
|
Not recorded | ZN ZINC ION × 1 CA CALCIUM ION × 4 NMU N-METHYLUREA × 1 GOL GLYCEROL × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.5；288 K；50 mM Tris/HCl, 50 % DMSO, 1.8 M CsCl, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 288K
|
Resolution 1.97 Å R-free 0.231 |
| 3N21 Crystal structure of Thermolysin in complex with S-1,2-Propandiol Deposited 2010-05-17 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
233–548（316 aa）
|
Not recorded | ZN ZINC ION × 1 CA CALCIUM ION × 4 PGO S-1,2-PROPANEDIOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.5；288 K；50 mM Tris/HCl, 50 % DMSO, 1.8 M CsCl, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 288K
|
Resolution 1.87 Å R-free 0.232 |
| 3NN7 Crystal structure of Thermolysin in complex with 2-bromoacetate Deposited 2010-06-23 | 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
233–548（316 aa）
|
Not recorded | ZN ZINC ION × 1 CA CALCIUM ION × 4 BXA bromoacetic acid × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.5；288 K；50 mM Tris/HCl, 50 % DMSO, 1.8 M CsCl, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 288K
|
Resolution 2.05 Å R-free 0.254 |
| 3P7P Radiation damage study of thermolysin - 100K structure A (0.1 MGy) Deposited 2010-10-12 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain E
233–548（316 aa）
Fragment：UNP residues 233-548
|
Not recorded | CA CALCIUM ION × 4 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；pH 5；298 K；40% DMSO, pH 5.0, vapor diffusion, temperature 298K
|
Resolution 2.20 Å R-free 0.211 |
| 3P7Q Radiation damage study of thermolysin - 100K structure B (2.5 MGy) Deposited 2010-10-12 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain E
233–548（316 aa）
Fragment：UNP residues 233-548
|
Not recorded | CA CALCIUM ION × 4 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；pH 5；298 K；40% DMSO, pH 5.0, vapor diffusion, temperature 298K
|
Resolution 2.20 Å R-free 0.205 |
| 3P7R Radiation damage study of thermolysin - 100K structure C (4.9 MGy) Deposited 2010-10-12 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain E
233–548（316 aa）
Fragment：UNP residues 233-548
|
Not recorded | CA CALCIUM ION × 4 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；pH 5；298 K；40% DMSO, pH 5.0, vapor diffusion, temperature 298K
|
Resolution 2.20 Å R-free 0.202 |
| 3P7S Radiation damage study of thermolysin - 100K structure D (7.2 MGy) Deposited 2010-10-12 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain E
233–548（316 aa）
Fragment：UNP residues 233-548
|
Not recorded | CA CALCIUM ION × 4 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；pH 5；298 K；40% DMSO, pH 5.0, vapor diffusion, temperature 298K
|
Resolution 2.20 Å R-free 0.202 |
| 3P7T Radiation damage study of thermolysin - 160K structure A (0.1 MGy) Deposited 2010-10-12 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain E
233–548（316 aa）
Fragment：UNP residues 233-548
|
Not recorded | CA CALCIUM ION × 4 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；pH 5；298 K；40% DMSO, pH 5.0, vapor diffusion, temperature 298K
|
Resolution 2.20 Å R-free 0.204 |
| 3P7U Radiation damage study of thermolysin - 160K structure B (2.4 MGy) Deposited 2010-10-12 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain E
233–548（316 aa）
Fragment：UNP residues 233-548
|
Not recorded | CA CALCIUM ION × 4 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；pH 5；298 K；40% DMSO, pH 5.0, vapor diffusion, temperature 298K
|
Resolution 2.20 Å R-free 0.200 |
| 3P7V Radiation damage study of thermolysin - 160K structure C (4.8 MGy) Deposited 2010-10-12 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain E
233–548（316 aa）
Fragment：UNP residues 233-548
|
Not recorded | CA CALCIUM ION × 4 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；pH 5；298 K；40% DMSO, pH 5.0, vapor diffusion, temperature 298K
|
Resolution 2.20 Å R-free 0.202 |
| 3P7W Radiation damage study of thermolysin - 160K structure D (7.1 MGy) Deposited 2010-10-12 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain E
233–548（316 aa）
Fragment：UNP residues 233-548
|
Not recorded | CA CALCIUM ION × 4 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；pH 5；298 K；40% DMSO, pH 5.0, vapor diffusion, temperature 298K
|
Resolution 2.20 Å R-free 0.210 |
| 3QGO Structure of Thermolysin in complex with L-Phenylalanine methylester Deposited 2011-01-24 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
233–548（316 aa）
|
Not recorded | CA CALCIUM ION × 4 ZN ZINC ION × 1 0A9 methyl L-phenylalaninate × 3 DMS DIMETHYL SULFOXIDE × 2 ACT ACETATE ION × 1 P6G HEXAETHYLENE GLYCOL × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；298 K；Thermolysin was dissolved in 30% DMSO, 36mM Tris/HCl, 1M calcium acetate pH 6.3 at 100mg/ml. Crystals were grown against a well solution containing water, VAPOR DIFFUSION, SITTING DROP, temperature 298K
|
Resolution 1.45 Å R-free 0.142 |
| 3QH1 Structure of Thermolysin in complex with N-benzyloxycarbonyl-L-aspartic acid Deposited 2011-01-25 | 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
233–548（316 aa）
|
Not recorded | CA CALCIUM ION × 4 ZN ZINC ION × 1 NX6 N-[(benzyloxy)carbonyl]-L-aspartic acid × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；298 K；THERMOLYSIN WAS DISSOLVED IN 30% DMSO, 36mM TRIS/HCl, 1M CALCIUM ACETATE pH 6.3 AT 100MG/ML, VAPOR DIFFUSION, SITTING DROP, temperature 298K
|
Resolution 1.55 Å R-free 0.150 |
| 3QH5 Structure of Thermolysin in complex with N-Carbobenzyloxy-L-aspartic acid and L-Phenylalanine Methyl Ester Deposited 2011-01-25 | 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
233–548（316 aa）
|
Not recorded | CA CALCIUM ION × 4 ZN ZINC ION × 1 0A9 methyl L-phenylalaninate × 2 NX6 N-[(benzyloxy)carbonyl]-L-aspartic acid × 1 PG4 TETRAETHYLENE GLYCOL × 1 PEG DI(HYDROXYETHYL)ETHER × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；298 K；THERMOLYSIN WAS DISSOLVED IN 30% DMSO, 36mM TRIS/HCl, 1M CALCIUM ACETATE pH 6.3 AT 100MG/ML, VAPOR DIFFUSION, SITTING DROP, temperature 298K
|
Resolution 1.50 Å R-free 0.187 |
| 3SSB Structure of Insect Metalloproteinase Inhibitor in Complex with Thermolysin Deposited 2011-07-08 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric |
Chain A
233–548（316 aa）
|
Not recorded | GOL GLYCEROL × 2 ZN ZINC ION × 1 CA CALCIUM ION × 3 NA SODIUM ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8.5；293 K；20% w/v PEG 4000, 0.2 M sodium acetate, 0.1 M Tris-HCl, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K
|
Resolution 1.80 Å R-free 0.193 |
| 3SSB Structure of Insect Metalloproteinase Inhibitor in Complex with Thermolysin Deposited 2011-07-08 | 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 B
233–548（316 aa）
|
Not recorded | GOL GLYCEROL × 1 ZN ZINC ION × 1 CA CALCIUM ION × 3 NA SODIUM ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8.5；293 K；20% w/v PEG 4000, 0.2 M sodium acetate, 0.1 M Tris-HCl, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K
|
Resolution 1.80 Å R-free 0.193 |
| 3T2H Tetragonal thermolysin in the presence of TMAO Deposited 2011-07-22 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain E
233–548（316 aa）
|
Not recorded | CA CALCIUM ION × 4 ZN ZINC ION × 2 CL CHLORIDE ION × 8 NA SODIUM ION × 1 TMO trimethylamine oxide × 3 DMS DIMETHYL SULFOXIDE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6；298 K；100 mg/mL protein in 45% DMSO, Mixing solution 45% DMSO, 1 M NaCl, 1 M ZnCl2, 0.1 M MES pH 6.0, Well 30% saturated AmSO4, Soak done in 3 M TMAO, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 1.95 Å R-free 0.183 |
| 3T2I Tetragonal thermolysin in the presence of sarcosine Deposited 2011-07-22 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain E
233–548（316 aa）
|
Not recorded | CA CALCIUM ION × 4 ZN ZINC ION × 2 CL CHLORIDE ION × 3 NA SODIUM ION × 1 SAR SARCOSINE × 3 DMS DIMETHYL SULFOXIDE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6；298 K；100 mg/mL protein in 45% DMSO, Mixing solution 45% DMSO, 1 M NaCl, 1 M ZnCl2, 0.1 M MES pH 6.0, Well 30% saturated AmSO4, Soak done in 4 M sarcosine, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 2.10 Å R-free 0.216 |
| 3T2J Tetragonal thermolysin in the presence of betaine Deposited 2011-07-22 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain E
233–548（316 aa）
|
Not recorded | CA CALCIUM ION × 4 ZN ZINC ION × 3 CL CHLORIDE ION × 2 NA SODIUM ION × 1 BET TRIMETHYL GLYCINE × 6 DMS DIMETHYL SULFOXIDE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6；298 K；100 mg/mL protein in 45% DMSO, Mixing solution 45% DMSO, 1 M NaCl, 1 M ZnCl2, 0.1 M MES pH 6.0, Well 30% saturated AmSO4, Soak done in 3 M TMAO, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 2.00 Å R-free 0.188 |
| 3T73 Thermolysin In Complex With UBTLN22 Deposited 2011-07-29 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
233–548（316 aa）
Fragment：mature form (UNP residues 233-548)
|
Not recorded | UBX N-[(S)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-N-methyl-L-leucinamide × 1 GOL GLYCEROL × 4 DMS DIMETHYL SULFOXIDE × 4 ZN ZINC ION × 1 CA CALCIUM ION × 4 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.5；291 K；50 mM Tris, 1.9 M cesium chloride, 50% DMSO, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 291K
|
Resolution 1.60 Å R-free 0.166 |
| 3T74 Thermolysin In Complex With UBTLN27 Deposited 2011-07-29 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
233–548（316 aa）
Fragment：mature form (UNP residues 233-548)
|
Not recorded | UBY N-[(S)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-L-leucyl-L-alanine × 1 GOL GLYCEROL × 4 DMS DIMETHYL SULFOXIDE × 4 ZN ZINC ION × 1 CA CALCIUM ION × 4 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.5；291 K；50 mM Tris, 1.9 M cesium chloride, 50% DMSO, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 291K
|
Resolution 1.28 Å R-free 0.127 |
| 3T87 Thermolysin In Complex With UBTLN28 Deposited 2011-08-01 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
233–548（316 aa）
Fragment：mature form (UNP residues 233-548)
|
Not recorded | UBZ (2S)-2-({N-[(R)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-L-leucyl}amino)butanoic acid × 1 GOL GLYCEROL × 3 DMS DIMETHYL SULFOXIDE × 5 ZN ZINC ION × 1 CA CALCIUM ION × 4 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.5；291 K；50 mM Tris, 1.9 M cesium chloride, 50% DMSO, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 291K
|
Resolution 1.28 Å R-free 0.127 |
| 3T8C Thermolysin In Complex With UBTLN30 Deposited 2011-08-01 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
233–548（316 aa）
Fragment：mature form (UNP residues 233-548)
|
Not recorded | UBW N-[(R)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-L-leucyl-L-norvaline × 1 GOL GLYCEROL × 3 DMS DIMETHYL SULFOXIDE × 5 ZN ZINC ION × 1 CA CALCIUM ION × 4 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.5；291 K；50 mM Tris, 1.9 M cesium chloride, 50% DMSO, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 291K
|
Resolution 1.66 Å R-free 0.166 |
| 3T8D Thermolysin In Complex With UBTLN31 Deposited 2011-08-01 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
233–548（316 aa）
Fragment：mature form (UNP residues 233-548)
|
Not recorded | UBV N-[(S)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-L-leucyl-L-isoleucine × 1 GOL GLYCEROL × 3 DMS DIMETHYL SULFOXIDE × 4 ZN ZINC ION × 1 CA CALCIUM ION × 4 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.5；291 K；50 mM Tris, 1.9 M cesium chloride, 50% DMSO, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 291K
|
Resolution 1.41 Å R-free 0.153 |
| 3T8F Thermolysin In Complex With UBTLN34 Deposited 2011-08-01 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
233–548（316 aa）
Fragment：mature form (UNP residues 233-548)
|
Not recorded | UBU N-[(R)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-N-ethyl-L-leucinamide × 1 GOL GLYCEROL × 4 DMS DIMETHYL SULFOXIDE × 5 ZN ZINC ION × 1 CA CALCIUM ION × 4 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.5；291 K；50 mM Tris, 1.9 M cesium chloride, 50% DMSO, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 291K
|
Resolution 1.44 Å R-free 0.159 |
| 3T8G Thermolysin In Complex With UBTLN26 Deposited 2011-08-01 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
233–548（316 aa）
Fragment：mature form (UNP residues 233-548)
|
Not recorded | UBT N-[(R)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-L-leucylglycine × 1 GOL GLYCEROL × 4 DMS DIMETHYL SULFOXIDE × 5 ZN ZINC ION × 1 CA CALCIUM ION × 4 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.5；291 K；50 mM Tris, 1.9 M cesium chloride, 50% DMSO, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 291K
|
Resolution 1.50 Å R-free 0.156 |
| 3T8H Thermolysin In Complex With UBTLN29 Deposited 2011-08-01 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
233–548（316 aa）
Fragment：mature form (UNP residues 233-548)
|
Not recorded | UBS N-[(S)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-L-leucyl-L-valine × 1 DMS DIMETHYL SULFOXIDE × 5 GOL GLYCEROL × 3 ZN ZINC ION × 1 CA CALCIUM ION × 4 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.5；291 K；50 mM Tris, 1.9 M cesium chloride, 50% DMSO, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 291K
|
Resolution 1.45 Å R-free 0.153 |
| 3TLI THERMOLYSIN (10% ISOPROPANOL SOAKED CRYSTALS) Deposited 1998-10-28 | 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
1–316（316 aa）
|
Not recorded | ZN ZINC ION × 2 CA CALCIUM ION × 8 DMS DIMETHYL SULFOXIDE × 2 IPA ISOPROPYL ALCOHOL × 4 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7.5；pH 7.50
|
Resolution 1.95 Å R-free 0.212 |
| 3TMN THE BINDING OF L-VALYL-L-TRYPTOPHAN TO CRYSTALLINE THERMOLYSIN ILLUSTRATES THE MODE OF INTERACTION OF A PRODUCT OF PEPTIDE HYDROLYSIS Deposited 1987-06-29 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain E
1–316（316 aa）
|
Not recorded | VAL VALINE × 1 TRP TRYPTOPHAN × 1 CA CALCIUM ION × 4 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7.2；pH 7.2
|
Resolution 1.70 Å |
| 3ZI6 Structure of thermolysin solved by SAD from data collected by Direct Data Collection (DDC) using the GRob robot goniometer Deposited 2013-01-04 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
233–548（316 aa）
Fragment：RESIDUES 233-548
|
Not recorded | VAL VALINE × 1 LYS LYSINE × 1 ZN ZINC ION × 1 CA CALCIUM ION × 4 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7.2；pH 7.2
|
Resolution 2.00 Å R-free 0.204 |
| 4D91 Thermolysin In Complex With DMSO And Acetate Deposited 2012-01-11 | 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
233–548（316 aa）
Fragment：mature form (UNP residues 233-548)
|
Not recorded | DMS DIMETHYL SULFOXIDE × 2 ACT ACETATE ION × 1 ZN ZINC ION × 1 CA CALCIUM ION × 4 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.5；291 K；1.9 M cesium chloride, 50% DMSO, 50 mM Tris, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 291K
|
Resolution 1.90 Å R-free 0.184 |
| 4D9W Thermolysin In Complex With UBTLN32 Deposited 2012-01-12 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
233–548（316 aa）
Fragment：mature form (UNP residues 233-548)
|
Not recorded | X32 N-[(R)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-L-leucyl-L-phenylalanine × 1 GOL GLYCEROL × 3 DMS DIMETHYL SULFOXIDE × 3 ZN ZINC ION × 1 CA CALCIUM ION × 4 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.5；291 K；1.9 M cesium chloride, 50% DMSO, 50 mM Tris, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 291K
|
Resolution 1.38 Å R-free 0.140 |
| 4H57 Thermolysin inhibition Deposited 2012-09-18 | 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
233–548（316 aa）
Fragment：unp residues 233-548
|
Not recorded | CA CALCIUM ION × 4 ZN ZINC ION × 1 0PJ N-[(S)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-L-leucyl-L-leucine × 1 GOL GLYCEROL × 3 DMS DIMETHYL SULFOXIDE × 4 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.5；288 K；50MM TRIS/HCL, 50%DMSO, 1.9M CSCL,, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 288K
|
Resolution 1.56 Å R-free 0.167 |
| 4MTW Thermolysin in complex with UBTLN36 Deposited 2013-09-20 | 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 E
233–548（316 aa）
Fragment：Mature form (UNP residues 233-548)
|
Not recorded | ZN ZINC ION × 1 CA CALCIUM ION × 4 GOL GLYCEROL × 2 DMS DIMETHYL SULFOXIDE × 4 2G7 P-((((benzyloxy)carbonyl)amino)methyl)-N-((S)-1-(isobutylamino)-4-methyl-1-oxopentan-2-yl)phosphonamidic acid × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.5；291.15 K；50 mM Tris/HCl, 1.9 M CsCl, 50% DMSO, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 291.15K
|
Resolution 1.32 Å R-free 0.154 |
| 4MWP Thermolysin in complex with UBTLN46 Deposited 2013-09-25 | 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 E
233–548（316 aa）
Fragment：Mature form (UNP residues 233-548)
|
Not recorded | ZN ZINC ION × 1 CA CALCIUM ION × 4 DMS DIMETHYL SULFOXIDE × 4 GOL GLYCEROL × 3 2GC P-((((benzyloxy)carbonyl)amino)methyl)-N-((S)-4-methyl-1-oxo-1-(phenethylamino)pentan-2-yl)phosphonamidic acid × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.5；291.15 K；50 mM Tris/HCl, 1.9 M CsCl, 50% DMSO, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 291.15K
|
Resolution 1.23 Å R-free 0.144 |
| 4MXJ Thermolysin in complex with UBTLN35 Deposited 2013-09-26 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain E
233–548（316 aa）
Fragment：Mature form (UNP residues 233-548)
|
Not recorded | ZN ZINC ION × 1 CA CALCIUM ION × 4 GOL GLYCEROL × 2 DMS DIMETHYL SULFOXIDE × 3 2G8 P-((((benzyloxy)carbonyl)amino)methyl)-N-((S)-4-methyl-1-oxo-1-(propylamino)pentan-2-yl)phosphonamidic acid × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.5；291.15 K；50 mM Tris/HCl, 1.9 M CsCl, 50% DMSO, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 291.15K
|
Resolution 1.35 Å R-free 0.151 |
| 4MZN Thermolysin in complex with UBTLN59 Deposited 2013-09-30 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain E
233–548（316 aa）
Fragment：Mature form (UNP residues 233-548)
|
Not recorded | ZN ZINC ION × 1 CA CALCIUM ION × 4 GOL GLYCEROL × 2 DMS DIMETHYL SULFOXIDE × 4 2G9 P-((((benzyloxy)carbonyl)amino)methyl)-N-((S)-4-methyl-1-(((S)-2-methylbutyl)amino)-1-oxopentan- 2-yl)phosphonamidic acid × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.5；291.15 K；50 mM Tris/HCl, 1.9 M CsCl, 50% DMSO, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 291.15K
|
Resolution 1.17 Å R-free 0.138 |
| 4N4E Thermolysin in complex with UBTLN58 Deposited 2013-10-08 | 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 E
233–548（316 aa）
Fragment：Mature form (UNP residues 233-548)
|
Not recorded | ZN ZINC ION × 1 CA CALCIUM ION × 4 DMS DIMETHYL SULFOXIDE × 3 GOL GLYCEROL × 3 2G6 P-((((benzyloxy)carbonyl)amino)methyl)-N-((S)-1-((3,3-dimethylbutyl)amino)-4-methyl-1-oxopentan-2-yl)phosphonamidic acid × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.5；291.15 K；50 mM Tris/HCl, 1.9 M CsCl, 50% DMSO, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 291.15K
|
Resolution 1.13 Å R-free 0.138 |
| 4N5P Thermolysin in complex with UBTLN20 Deposited 2013-10-10 | 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 E
233–548（316 aa）
Fragment：UNP residues 233-548
|
Not recorded | CA CALCIUM ION × 4 ZN ZINC ION × 1 GOL GLYCEROL × 2 DMS DIMETHYL SULFOXIDE × 4 2H0 P-((((benzyloxy)carbonyl)amino)methyl)-N-((S)-1-(isopentylamino)-4-methyl-1-oxopentan-2-yl)phosphonamidic acid × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.5；291.15 K；50 mM Tris/HCl, 1.9 M CsCl, 50% DMSO, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 291.15K
|
Resolution 1.25 Å R-free 0.134 |
| 4N66 Thermolysin in complex with UBTLN37 Deposited 2013-10-11 | 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 E
233–548（316 aa）
Fragment：Mature form (UNP residues 233-548)
|
Not recorded | ZN ZINC ION × 1 CA CALCIUM ION × 4 DMS DIMETHYL SULFOXIDE × 4 GOL GLYCEROL × 3 2GZ P-((((benzyloxy)carbonyl)amino)methyl)-N-((S)-4-methyl-1-(neopentylamino)-1-oxopentan-2-yl)phosphonamidic acid × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.5；291.15 K；50 mM Tris/HCl, 1.9 M CsCl, 50% DMSO, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 291.15K
|
Resolution 1.44 Å R-free 0.145 |
| 4OI5 Glycerol-free structure of thermolysin in complex with ubtln58 Deposited 2014-01-18 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain E
233–548（316 aa）
Fragment：UNP residues 233-548
|
Not recorded | ZN ZINC ION × 1 CA CALCIUM ION × 4 2G6 P-((((benzyloxy)carbonyl)amino)methyl)-N-((S)-1-((3,3-dimethylbutyl)amino)-4-methyl-1-oxopentan-2-yl)phosphonamidic acid × 1 DMS DIMETHYL SULFOXIDE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.5；291 K；50 mM Tris/HCl, 1.9 M CsCl, 50% DMSO, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 291K
|
Resolution 1.30 Å R-free 0.146 |
| 4OW3 Thermolysin structure determined by free-electron laser Deposited 2014-01-30 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
233–548（316 aa）
Fragment：UNP residues 233-548
|
Not recorded | ZN ZINC ION × 1 CA CALCIUM ION × 4 |
X-RAY DIFFRACTION
X-ray crystallization conditions
EVAPORATION；pH 6.5；298 K；300 ul of the protein stock was mixed in a 1:1 ratio with 40% PEG 2000, 100 mM MES pH 6.5, 5 mM CaCl2. Crystallization occurred within minutes.
|
Resolution 2.10 Å R-free 0.263 |
| 4TLI THERMOLYSIN (25% ISOPROPANOL SOAKED CRYSTALS) Deposited 1998-10-29 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–316（316 aa）
|
Not recorded | ZN ZINC ION × 1 CA CALCIUM ION × 4 DMS DIMETHYL SULFOXIDE × 1 IPA ISOPROPYL ALCOHOL × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7.5；4.6MM THERMOLYSIN, 45% DMSO, 50MM TRIS-HCL, 2.5M CSCL, PH 7.5, pH 7.50
|
Resolution 1.95 Å R-free 0.206 |
| 4TLN BINDING OF HYDROXAMIC ACID INHIBITORS TO CRYSTALLINE THERMOLYSIN SUGGESTS A PENTACOORDINATE ZINC INTERMEDIATE IN CATALYSIS Deposited 1982-02-08 | 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
1–316（316 aa）
|
Not recorded | CA CALCIUM ION × 4 ZN ZINC ION × 1 LNO L-LEUCYL-HYDROXYLAMINE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7.2；pH 7.2
|
Resolution 2.30 Å |
| 4TMN SLOW-AND FAST-BINDING INHIBITORS OF THERMOLYSIN DISPLAY DIFFERENT MODES OF BINDING. CRYSTALLOGRAPHIC ANALYSIS OF EXTENDED PHOSPHONAMIDATE TRANSITION-STATE ANALOGUES Deposited 1987-06-29 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain E
1–316（316 aa）
|
Not recorded | 0PK N-[(S)-[(1R)-1-{[(benzyloxy)carbonyl]amino}-2-phenylethyl](hydroxy)phosphoryl]-L-leucyl-L-alanine × 1 CA CALCIUM ION × 4 ZN ZINC ION × 1 | X-RAY DIFFRACTION mmCIF provides none of the parsed conditions | Resolution 1.70 Å |
| 4TNL 1.8 A resolution room temperature structure of Thermolysin recorded using an XFEL Deposited 2014-06-04 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
233–548（316 aa）
Fragment：UNP residues 233-548
|
Not recorded | ZN ZINC ION × 1 CA CALCIUM ION × 4 |
X-RAY DIFFRACTION
X-ray crystallization conditions
BATCH MODE；298 K；300 ul of the protein stock was mixed in a 1:1 ratio with 40% PEG 2000, 100 mM MES pH 6.5, 5 mM CaCl2. Crystallization occurred within minutes.
|
Resolution 1.80 Å R-free 0.233 |
| 5A3Y SAD structure of Thermolysin obtained by multi crystal data collection Deposited 2015-06-04 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–548（548 aa）
|
Not recorded | VAL VALINE × 1 LYS LYSINE × 1 ZN ZINC ION × 1 CA CALCIUM ION × 4 DMS DIMETHYL SULFOXIDE × 1 TMO trimethylamine oxide × 2 | X-RAY DIFFRACTION mmCIF provides none of the parsed conditions | Resolution 1.27 Å R-free 0.166 |
| 5DPE Thermolysin in complex with inhibitor. Deposited 2015-09-12 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: Monomeric |
Chain E
233–548（316 aa）
Fragment：UNP residues 233-548
|
Not recorded | 5H8 N-[(S)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-L-leucyl-3-methyl-L-valine × 1 ZN ZINC ION × 1 CA CALCIUM ION × 4 DMS DIMETHYL SULFOXIDE × 4 GOL GLYCEROL × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.5；291.15 K；50 MM TRIS/HCL, 1.9 M CSCL, 50% DMSO,
|
Resolution 1.34 Å R-free 0.156 |
| 5DPF Thermolysin in complex with inhibitor. Deposited 2015-09-12 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: Monomeric |
Chain E
233–548（316 aa）
Fragment：UNP residues 233-548
|
Not recorded | 5H9 N-[(S)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-L-leucyl-4-methyl-L-leucine × 1 ZN ZINC ION × 1 CA CALCIUM ION × 4 DMS DIMETHYL SULFOXIDE × 4 GOL GLYCEROL × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.5；291.15 K；50 MM TRIS/HCL, 1.9 M CSCL, 50% DMSO
|
Resolution 1.47 Å R-free 0.152 |
| 5FSJ Structure of thermolysin prepared by the 'soak-and-freeze' method under 45 bar of oxygen pressure Deposited 2016-01-06 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
233–548（316 aa）
Fragment：UNP RESIDUES 233-548
|
Not recorded | VAL VALINE × 1 LYS LYSINE × 1 CA CALCIUM ION × 5 ZN ZINC ION × 2 OXY OXYGEN MOLECULE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 6；1:1 WITH 50 MM MES PH6, 1M NACL 45%(V/V) DMSO RESERVOIR: 35% SATURATED AMONIUM SULPHATE
|
Resolution 1.20 Å R-free 0.122 |
| 5FSP Structure of thermolysin prepared by the 'soak-and-freeze' method under 100 bar of krypton pressure Deposited 2016-01-06 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
233–548（316 aa）
|
Not recorded | VAL VALINE × 1 LYS LYSINE × 1 ZN ZINC ION × 1 KR KRYPTON × 8 CA CALCIUM ION × 4 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 6；1:1 WITH 50MM MES PH6, 1MNACL 45%(V/V) DMSO RESERVOIR: 35% SATURATED AMONIUM SULPHATE
|
Resolution 1.70 Å R-free 0.178 |
| 5FSS Structure of thermolysin prepared by the 'soak-and-freeze' method under 40 bar of krypton pressure Deposited 2016-01-07 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
233–548（316 aa）
|
Not recorded | VAL VALINE × 1 LYS LYSINE × 1 CA CALCIUM ION × 4 ZN ZINC ION × 2 KR KRYPTON × 2 GOL GLYCEROL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 6；1:1 WITH 50MM MES PH6, 1MNACL 45%(V/V) DMSO RESERVOIR: 35% SATURATED AMONIUM SULPHATE
|
Resolution 1.50 Å R-free 0.180 |
| 5FXN Structure of thermolysin solved by SAD from data collected by Direct Data Collection (DDC) using the ESRF RoboDiff goniometer Deposited 2016-03-02 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
234–548（315 aa）
|
Not recorded | VAL VALINE × 1 LYS LYSINE × 1 ZN ZINC ION × 1 CA CALCIUM ION × 4 | X-RAY DIFFRACTION mmCIF provides none of the parsed conditions | Resolution 1.45 Å R-free 0.180 |
| 5JS3 Thermolysin in complex with JC114. Deposited 2016-05-07 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain E
233–548（316 aa）
|
Not recorded | ZN ZINC ION × 1 CA CALCIUM ION × 4 GOL GLYCEROL × 2 DMS DIMETHYL SULFOXIDE × 3 6MG N~2~-[(R)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-N-[(2S)-2,3,3-trimethylbutyl]-L-leucinamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；pH 7.5；291.15 K；50 MM TRIS/HCL, 1.9 M CSCL, 50% DMSO
|
Resolution 1.16 Å R-free 0.124 |
| 5JSS Thermolysin in complex with JC149. Deposited 2016-05-09 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain E
233–548（316 aa）
|
Not recorded | ZN ZINC ION × 1 CA CALCIUM ION × 4 6NG N~2~-[(R)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-N-[(2R)-2,3,3-trimethylbutyl]-L-leucinamide × 1 GOL GLYCEROL × 2 DMS DIMETHYL SULFOXIDE × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；pH 7.5；291.15 K；50 MM TRIS/HCL, 1.9 M CSCL, 50% DMSO
|
Resolution 1.19 Å R-free 0.121 |
| 5JT9 Thermolysin in complex with JC106. Deposited 2016-05-09 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain E
233–548（316 aa）
|
Not recorded | ZN ZINC ION × 1 CA CALCIUM ION × 4 GOL GLYCEROL × 2 DMS DIMETHYL SULFOXIDE × 4 7AF ~{N}-[(2~{S})-1-[[(2~{S})-2,3-dimethylbutyl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-(phenylmethoxycarbonylaminomethyl)phosphonamidic acid × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；pH 7.5；291.15 K；50 MM TRIS/HCL, 1.9 M CSCL, 50% DMSO
|
Resolution 1.26 Å R-free 0.121 |
| 5JVI Thermolysin in complex with JC148. Deposited 2016-05-11 | 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 E
233–548（316 aa）
|
Not recorded | ZN ZINC ION × 1 CA CALCIUM ION × 4 GOL GLYCEROL × 2 DMS DIMETHYL SULFOXIDE × 3 6QC ~{N}-[(2~{S})-1-[[(2~{R})-2,3-dimethylbutyl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-(phenylmethoxycarbonylaminomethyl)phosphonamidic acid × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.5；291.15 K；50 MM TRIS/HCL, 1.9 M CSCL, 50% DMSO
|
Resolution 1.12 Å R-free 0.119 |
| 5JXN Thermolysin in complex with JC240. Deposited 2016-05-13 | 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 E
233–548（316 aa）
|
Not recorded | ZN ZINC ION × 1 CA CALCIUM ION × 4 DMS DIMETHYL SULFOXIDE × 3 GOL GLYCEROL × 2 6NN P-((((benzyloxy)carbonyl)amino)methyl)-N-((S)-4-methyl-1-(((R)-2-methylbutyl)amino)-1-oxopentan- 2-yl)phosphonamidic acid × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.5；291.15 K；50 MM TRIS/HCL, 1.9 M CSCL, 50% DMSO
|
Resolution 1.38 Å R-free 0.135 |
| 5K7T MicroED structure of thermolysin at 2.5 A resolution Deposited 2016-05-26 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
233–548（316 aa）
|
Not recorded | CA CALCIUM ION × 4 ZN ZINC ION × 1 DMS DIMETHYL SULFOXIDE × 1 IPA ISOPROPYL ALCOHOL × 1 |
ELECTRON CRYSTALLOGRAPHY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 2.50 Å R-free 0.310 |
| 5L3U Thermolysin in complex with JC149 (MPD cryo protectant) Deposited 2016-05-24 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain E
233–548（316 aa）
|
Not recorded | ZN ZINC ION × 1 CA CALCIUM ION × 4 DMS DIMETHYL SULFOXIDE × 3 6NG N~2~-[(R)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-N-[(2R)-2,3,3-trimethylbutyl]-L-leucinamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.5；291.15 K；50 MM TRIS/HCL, 1.9 M CSCL, 50% DMSO
|
Resolution 1.23 Å R-free 0.124 |
| 5L41 Thermolysin in complex with JC148 (MPD cryo protectant) Deposited 2016-05-24 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain E
233–548（316 aa）
Fragment：UNP residues 233-548
|
Not recorded | ZN ZINC ION × 1 CA CALCIUM ION × 4 DMS DIMETHYL SULFOXIDE × 3 6QC ~{N}-[(2~{S})-1-[[(2~{R})-2,3-dimethylbutyl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-(phenylmethoxycarbonylaminomethyl)phosphonamidic acid × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.5；291.15 K；50 MM TRIS/HCL, 1.9 M CSCL, 50% DMSO
|
Resolution 1.25 Å R-free 0.130 |
| 5L8P Thermolysin in complex with JC114 (PEG400 cryo protectant) Deposited 2016-06-08 | 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 E
233–548（316 aa）
Fragment：UNP residues 233-548
|
Not recorded | ZN ZINC ION × 1 CA CALCIUM ION × 4 6MG N~2~-[(R)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-N-[(2S)-2,3,3-trimethylbutyl]-L-leucinamide × 1 DMS DIMETHYL SULFOXIDE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.5；291.15 K；50 MM TRIS/HCL, 1.9 M CSCL, 50% DMSO
|
Resolution 1.29 Å R-free 0.133 |
| 5LIF Thermolysin in complex with inhibitor Deposited 2016-07-14 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain E
233–548（316 aa）
|
Not recorded | ZN ZINC ION × 1 CA CALCIUM ION × 4 GOL GLYCEROL × 2 DMS DIMETHYL SULFOXIDE × 3 6XO (2~{S})-3-cyclohexyl-2-[[(2~{S})-4-methyl-2-[[oxidanyl(phenylmethoxycarbonylaminomethyl)phosphoryl]amino]pentanoyl]amino]propanoic acid × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.5；291.15 K；50 MM TRIS/HCL, 1.9 M CSCL, 50% DMSO
|
Resolution 1.31 Å R-free 0.136 |
| 5LVD Thermolysin in complex with inhibitor (JC67) Deposited 2016-09-14 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain E
233–548（316 aa）
Fragment：UNP residues 233-548
|
Not recorded | ZN ZINC ION × 1 CA CALCIUM ION × 4 GOL GLYCEROL × 2 DMS DIMETHYL SULFOXIDE × 2 79F (2~{S})-4-methyl-2-[[(2~{S})-3-oxidanyl-2-[[oxidanyl(phenylmethoxycarbonylaminomethyl)phosphoryl]amino]propanoyl]amino]pentanoic acid × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.5；291.15 K；50 MM TRIS/HCL, 1.9 M CSCL, 50% DMSO
DOUBLE CRYSTAL MONOCHROMATOR
|
Resolution 1.25 Å R-free 0.125 |
| 5LWD Thermolysin in complex with inhibitor (JC96) Deposited 2016-09-15 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain E
233–548（316 aa）
Fragment：UNP residues 233-548
|
Not recorded | ZN ZINC ION × 1 CA CALCIUM ION × 4 DMS DIMETHYL SULFOXIDE × 3 GOL GLYCEROL × 2 79E JC96 × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.5；291.15 K；50 MM TRIS/HCL, 1.9 M CSCL, 50% DMSO
|
Resolution 1.23 Å R-free 0.123 |
| 5M5F Thermolysin in complex with inhibitor and krypton Deposited 2016-10-21 | 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 E
233–548（316 aa）
Fragment：UNP residues 233-548
|
Not recorded | ZN ZINC ION × 1 CA CALCIUM ION × 4 GOL GLYCEROL × 2 7GR (2~{S})-4-methyl-2-[2-[[oxidanyl(phenylmethoxycarbonylaminomethyl)phosphoryl]amino]ethanoylamino]pentanoic acid × 1 DMS DIMETHYL SULFOXIDE × 4 KR KRYPTON × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.5；291.15 K；50 MM TRIS/HCL, 1.9 M CSCL, 50% DMSO
|
Resolution 1.33 Å R-free 0.139 |
| 5M69 Thermolysin in complex with inhibitor and xenon Deposited 2016-10-24 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain E
233–548（316 aa）
|
Not recorded | ZN ZINC ION × 1 CA CALCIUM ION × 4 GOL GLYCEROL × 2 7GR (2~{S})-4-methyl-2-[2-[[oxidanyl(phenylmethoxycarbonylaminomethyl)phosphoryl]amino]ethanoylamino]pentanoic acid × 1 XE XENON × 2 DMS DIMETHYL SULFOXIDE × 4 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.5；291.15 K；50 MM TRIS/HCL, 1.9 M CSCL, 50% DMSO
|
Resolution 1.44 Å R-free 0.141 |
| 5M9W Experimental MAD phased structure of thermolysin in complex with inhibitor JC65. Deposited 2016-11-02 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
233–548（316 aa）
|
Not recorded | ZN ZINC ION × 1 CA CALCIUM ION × 4 GOL GLYCEROL × 2 DMS DIMETHYL SULFOXIDE × 4 7GR (2~{S})-4-methyl-2-[2-[[oxidanyl(phenylmethoxycarbonylaminomethyl)phosphoryl]amino]ethanoylamino]pentanoic acid × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.5；291.15 K；50 MM TRIS/HCL, 1.9 M CSCL, 50% DMSO
DOUBLE CRYSTAL MONOCHROMATOR
|
Resolution 1.21 Å R-free 0.127 |
| 5MA7 Structure of thermolysin in complex with inhibitor (JC306). Deposited 2016-11-03 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain E
233–548（316 aa）
|
Not recorded | ZN ZINC ION × 1 CA CALCIUM ION × 4 GOL GLYCEROL × 2 DMS DIMETHYL SULFOXIDE × 4 7K0 (2~{S})-2-[[(2~{S})-3-azanyl-2-[[oxidanyl(phenylmethoxycarbonylaminomethyl)phosphoryl]amino]propanoyl]amino]-4-methyl-pentanoic acid × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.5；291.15 K；50 MM TRIS/HCL, 1.9 M CSCL, 50% DMSO
DOUBLE CRYSTAL MONOCHROMATOR
|
Resolution 1.30 Å R-free 0.139 |
| 5MNR Thermolysin in complex with inhibitor JC256 Deposited 2016-12-13 | 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 E
233–548（316 aa）
|
Not recorded | ZN ZINC ION × 1 CA CALCIUM ION × 4 DMS DIMETHYL SULFOXIDE × 3 JC2 (2~{S})-4-azanyl-2-[[(2~{S})-4-methyl-2-[[oxidanyl(phenylmethoxycarbonylaminomethyl)phosphoryl]amino]pentanoyl]amino]butanoic acid × 1 MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.5；292 K；1.9 M CsCl, 50 mM Tris (pH 7.5), 50% DMSO
|
Resolution 1.25 Å R-free 0.127 |
| 5N2T Thermolysin in complex with inhibitor JC287 Deposited 2017-02-08 | 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 E
233–548（316 aa）
|
Not recorded | ZN ZINC ION × 1 CA CALCIUM ION × 4 DMS DIMETHYL SULFOXIDE × 4 8KK ~{N}-[(2~{S})-1-(3-azanylpropylamino)-4-methyl-1-oxidanylidene-pentan-2-yl]-(phenylmethoxycarbonylaminomethyl)phosphonamidic acid × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.5；291 K；4 mM TLN, 1.9 M CsCl, 50% DMSO, 50 mM Tris-HCl, pH 7.5
|
Resolution 1.38 Å R-free 0.138 |
| 5N2X Thermolysin in complex with inhibitor JC272 Deposited 2017-02-08 | 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 E
233–548（316 aa）
|
Not recorded | ZN ZINC ION × 1 CA CALCIUM ION × 4 DMS DIMETHYL SULFOXIDE × 3 8KN (2~{S})-5-azanyl-2-[[(2~{S})-4-methyl-2-[[oxidanyl(phenylmethoxycarbonylaminomethyl)phosphoryl]amino]pentanoyl]amino]pentanoic acid × 1 MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.5；291 K；4 mM TLN, 1.9 M CsCl, 50% DMSO, 50 mM Tris-HCl, pH 7.5
|
Resolution 1.21 Å R-free 0.127 |
| 5N2Z Thermolysin in complex with inhibitor JC286 Deposited 2017-02-08 | 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 E
233–548（316 aa）
|
Not recorded | ZN ZINC ION × 1 CA CALCIUM ION × 4 DMS DIMETHYL SULFOXIDE × 4 8JH ~{N}-[(2~{S})-1-(4-azanylbutylamino)-4-methyl-1-oxidanylidene-pentan-2-yl]-(phenylmethoxycarbonylaminomethyl)phosphonamidic acid × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.5；291 K；4 mM TLN, 1.9 M CsCl, 50% DMSO, 50 mM Tris-HCl, pH 7.5
|
Resolution 1.37 Å R-free 0.135 |
| 5N31 Thermolysin in complex with inhibitor JC277 Deposited 2017-02-08 | 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 E
233–548（316 aa）
|
Not recorded | ZN ZINC ION × 1 CA CALCIUM ION × 4 DMS DIMETHYL SULFOXIDE × 3 MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 1 8LB (2~{S})-6-azanyl-2-[[(2~{S})-4-methyl-2-[[oxidanyl(phenylmethoxycarbonylaminomethyl)phosphoryl]amino]pentanoyl]amino]hexanoic acid × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.5；291 K；4 mM TLN, 1.9 M CsCl, 50% DMSO, 50 mM Tris-HCl, pH 7.5
|
Resolution 1.37 Å R-free 0.134 |
| 5N34 Thermolysin in complex with inhibitor JC276 Deposited 2017-02-08 | 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 E
233–548（316 aa）
|
Not recorded | ZN ZINC ION × 1 CA CALCIUM ION × 4 DMS DIMETHYL SULFOXIDE × 4 MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 2 8JQ ~{N}-[(2~{S})-1-(2-azanylethylamino)-4-methyl-1-oxidanylidene-pentan-2-yl]-(phenylmethoxycarbonylaminomethyl)phosphonamidic acid × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.5；291 K；4 mM TLN, 1.9 M CsCl, 50% DMSO, 50 mM Tris-HCl, pH 7.5
|
Resolution 1.22 Å R-free 0.130 |
| 5N3V Thermolysin in complex with inhibitor JC292 Deposited 2017-02-09 | 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 E
233–548（316 aa）
|
Not recorded | ZN ZINC ION × 1 CA CALCIUM ION × 4 8L5 N-(aminomethyl)-N~2~-[(R)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-L-leucinamide × 1 MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 2 DMS DIMETHYL SULFOXIDE × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.5；291 K；4 mM TLN, 1.9 M CsCl, 50% DMSO, 50 mM Tris-HCl, pH 7.5
|
Resolution 1.12 Å R-free 0.119 |
| 5N3Y Thermolysin in complex with inhibitor JC267 Deposited 2017-02-09 | 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 E
233–548（316 aa）
|
Not recorded | ZN ZINC ION × 1 CA CALCIUM ION × 4 DMS DIMETHYL SULFOXIDE × 4 MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 1 8L2 (2~{S})-3-azanyl-2-[[(2~{S})-4-methyl-2-[[oxidanyl(phenylmethoxycarbonylaminomethyl)phosphoryl]amino]pentanoyl]amino]propanoic acid × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.5；291 K；4 mM TLN, 1.9 M CsCl, 50% DMSO, 50 mM Tris-HCl, pH 7.5
|
Resolution 1.34 Å R-free 0.138 |
| 5O8N Structure of thermolysin at room temperature via a method of acoustically induced rotation. Deposited 2017-06-13 | 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
233–548（316 aa）
|
Not recorded | CA CALCIUM ION × 4 ZN ZINC ION × 1 CL CHLORIDE ION × 3 NA SODIUM ION × 5 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6；291 K；Well solution: 1.2M Ammonium sulphate. Protein solution: 50mg/ml thermolysin, 50mM MES, 45% DMSO, 0.5M NaCl.
|
Resolution 1.90 Å R-free 0.259 |
| 5ONR Alzheimer's Amyloid-Beta Peptide Fragment 1-40 in Complex with Thermolysin Deposited 2017-08-04 | 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 A
233–548（316 aa）
|
Not recorded | CA CALCIUM ION × 4 ZN ZINC ION × 1 DMS DIMETHYL SULFOXIDE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
EVAPORATION；pH 6；293 K；50 mM MES: 45% DMSO: 0.7-0.9 M NaCl: 0-0.4 M CdCl2: reservoir solution
containing 30-40% ammonium sulphate
|
Resolution 1.39 Å R-free 0.199 |
| 5T9I Conformational Sampling Differences across the Arrhenius Plot Biphasic Break Point at Ambient Temperature in the Enzyme Thermolysin Deposited 2016-09-09 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
233–548（316 aa）
Fragment：UNP residues 233-548
|
Not recorded | CA CALCIUM ION × 4 ZN ZINC ION × 1 VAL VALINE × 1 LYS LYSINE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8.3；293 K；1.4 M (NH 4 ) 2 SO 4 , 12% glycerol, 100 mM Tris buffer, pH 8.3
|
Resolution 2.09 Å R-free 0.197 |
| 5T9K Conformational Sampling Differences across the Arrhenius Plot Biphasic Break Point at Ambient Temperature in the Enzyme Thermolysin Deposited 2016-09-09 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
233–548（316 aa）
Fragment：UNP residues 233-548
|
Not recorded | CA CALCIUM ION × 4 ZN ZINC ION × 1 VAL VALINE × 1 LYS LYSINE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8.3；293 K；1.4 M (NH 4 ) 2 SO 4 , 12% glycerol, 100 mM Tris buffer, pH 8.3
|
Resolution 2.10 Å R-free 0.195 |
| 5T9Q Conformational Sampling Differences across the Arrhenius Plot Biphasic Break Point at Ambient Temperature in the Enzyme Thermolysin Deposited 2016-09-09 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
233–548（316 aa）
Fragment：UNP residues 233-548
|
Not recorded | CA CALCIUM ION × 4 ZN ZINC ION × 1 VAL VALINE × 1 LYS LYSINE × 1 PO4 PHOSPHATE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8.3；293 K；1.4 M (NH 4 ) 2 SO 4 , 12% glycerol, 100 mM Tris buffer, pH 8.3
|
Resolution 2.10 Å R-free 0.206 |
| 5TAC Conformational Sampling Differences across the Arrhenius Plot Biphasic Break Point at Ambient Temperature in the Enzyme Thermolysin Deposited 2016-09-09 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
233–548（316 aa）
Fragment：UNP residues 233-548
|
Not recorded | CA CALCIUM ION × 4 ZN ZINC ION × 1 VAL VALINE × 1 LYS LYSINE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8.3；293 K；1.4 M (NH 4 ) 2 SO 4 , 12% glycerol, 100 mM Tris buffer, pH 8.3
|
Resolution 2.04 Å R-free 0.186 |
| 5TAD Conformational Sampling Differences across the Arrhenius Plot Biphasic Break Point at Ambient Temperature in the Enzyme Thermolysin Deposited 2016-09-09 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
233–548（316 aa）
Fragment：UNP residues 233-548
|
Not recorded | CA CALCIUM ION × 4 ZN ZINC ION × 1 VAL VALINE × 1 LYS LYSINE × 1 PO4 PHOSPHATE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.9；293 K；1.4 M Na 2 KPO 4 pH 6.9
|
Resolution 2.09 Å R-free 0.197 |
| 5TAE Conformational Sampling Differences across the Arrhenius Plot Biphasic Break Point at Ambient Temperature in the Enzyme Thermolysin Deposited 2016-09-09 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
233–548（316 aa）
Fragment：UNP residues 233-548
|
Not recorded | CA CALCIUM ION × 4 ZN ZINC ION × 1 VAL VALINE × 1 LYS LYSINE × 1 PO4 PHOSPHATE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.9；293 K；1.4 M Na 2 KPO 4 pH 6.9
|
Resolution 2.30 Å R-free 0.220 |
| 5TAI Conformational Sampling Differences across the Arrhenius Plot Biphasic Break Point at Ambient Temperature in the Enzyme Thermolysin Deposited 2016-09-10 | 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
233–548（316 aa）
Fragment：UNP residues 233-548
|
Not recorded | CA CALCIUM ION × 4 ZN ZINC ION × 1 VAL VALINE × 1 LYS LYSINE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8.3；293 K；1.4 M (NH 4 ) 2 SO 4 , 12% glycerol, 100 mM Tris buffer, pH 8.3
|
Resolution 2.30 Å R-free 0.230 |
| 5TAJ Conformational Sampling Differences across the Arrhenius Plot Biphasic Break Point at Ambient Temperature in the Enzyme Thermolysin Deposited 2016-09-10 | 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
233–548（316 aa）
Fragment：UNP residues 233-548
|
Not recorded | CA CALCIUM ION × 4 ZN ZINC ION × 1 VAL VALINE × 1 LYS LYSINE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8.3；293 K；1.4 M (NH 4 ) 2 SO 4 , 12% glycerol, 100 mM Tris buffer, pH 8.3
|
Resolution 2.03 Å R-free 0.202 |
| 5TAK Conformational Sampling Differences across the Arrhenius Plot Biphasic Break Point at Ambient Temperature in the Enzyme Thermolysin Deposited 2016-09-10 | 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
233–548（316 aa）
Fragment：UNP residues 233-548
|
Not recorded | CA CALCIUM ION × 4 ZN ZINC ION × 1 VAL VALINE × 1 LYS LYSINE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8.3；293 K；1.4 M (NH 4 ) 2 SO 4 , 12% glycerol, 100 mM Tris buffer, pH 8.3
|
Resolution 2.00 Å R-free 0.261 |
| 5TLI THERMOLYSIN (60% ISOPROPANOL SOAKED CRYSTALS) Deposited 1998-10-29 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–316（316 aa）
|
Not recorded | ZN ZINC ION × 1 CA CALCIUM ION × 4 DMS DIMETHYL SULFOXIDE × 1 IPA ISOPROPYL ALCOHOL × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7.5；4.6MM THERMOLYSIN, 45% DMSO, 50MM TRIS-HCL, 2.5M CSCL, PH 7.5, pH 7.50
|
Resolution 2.10 Å R-free 0.192 |
| 5TLN BINDING OF HYDROXAMIC ACID INHIBITORS TO CRYSTALLINE THERMOLYSIN SUGGESTS A PENTACOORDINATE ZINC INTERMEDIATE IN CATALYSIS Deposited 1982-02-08 | 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
1–316（316 aa）
|
Not recorded | CA CALCIUM ION × 4 ZN ZINC ION × 1 BAN HONH-BENZYLMALONYL-L-ALANYLGLYCINE-P-NITROANILIDE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7.2；pH 7.2
|
Resolution 2.30 Å |
| 5TMN Slow-and fast-binding inhibitors of thermolysin display different modes of binding. crystallographic analysis of extended phosphonamidate transition-state analogues Deposited 1987-06-29 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain E
1–316（316 aa）
|
Not recorded | 0PJ N-[(S)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-L-leucyl-L-leucine × 1 CA CALCIUM ION × 4 ZN ZINC ION × 1 | X-RAY DIFFRACTION mmCIF provides none of the parsed conditions | Resolution 1.60 Å |
| 5UN3 Tetragonal thermolysin (295 K) in the presence of 50% xylose Deposited 2017-01-30 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
233–548（316 aa）
|
Not recorded | CA CALCIUM ION × 3 ZN ZINC ION × 8 CL CHLORIDE ION × 4 XYP beta-D-xylopyranose × 5 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；295 K；Drop: 45% DMSO, 0.5 M ZnCl2, 50 mg/mL protein
Well: ~2 M AmSO4
|
Resolution 1.60 Å R-free 0.181 |
| 5UU7 Tetragonal thermolysin (295 K) in the presence of 50% mpd Deposited 2017-02-16 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
233–548（316 aa）
|
Not recorded | CA CALCIUM ION × 3 ZN ZINC ION × 7 CL CHLORIDE ION × 4 MRD (4R)-2-METHYLPENTANE-2,4-DIOL × 2 MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 1 DMS DIMETHYL SULFOXIDE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；295 K；Protein: 50 mg/mL in 45% DMSO, 0.5 M ZnCl2
Well: ~2 M AmSO4
|
Resolution 1.60 Å R-free 0.156 |
| 5UU8 Tetragonal thermolysin cryocooled to 100 K with 30% xylose as cryoprotectant Deposited 2017-02-16 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
233–548（316 aa）
|
Not recorded | CA CALCIUM ION × 3 ZN ZINC ION × 3 XYP beta-D-xylopyranose × 5 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；295 K；Protein: 50 mg/mL in 45% DMSO,0.5 M ZnCl2
Well: ~2 M AmSO4
|
Resolution 2.50 Å R-free 0.289 |
| 5UU9 Tetragonal thermolysin cryocooled to 100 K with 40% xylose as cryoprotectant Deposited 2017-02-16 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
233–548（316 aa）
|
Not recorded | CA CALCIUM ION × 3 ZN ZINC ION × 4 XYP beta-D-xylopyranose × 8 DMS DIMETHYL SULFOXIDE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；295 K；Protein: 50 mg/mL in 45% DMSO, 0.5 M ZnCl2
Well:~2 M AmSO4
|
Resolution 1.60 Å R-free 0.178 |
| 5UUA Tetragonal thermolysin cryocooled to 100 K with 50% xylose as cryoprotectant Deposited 2017-02-16 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
233–548（316 aa）
|
Not recorded | CA CALCIUM ION × 2 ZN ZINC ION × 8 CL CHLORIDE ION × 4 XYP beta-D-xylopyranose × 8 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；295 K；Protein: 50 mg/mL in 45% DMSO, 0.5 M ZnC2
|
Resolution 1.60 Å R-free 0.166 |
| 5UUB Tetragonal thermolysin cryocooled to 100 K with 25% xylose/25% mpd as cryoprotectant Deposited 2017-02-16 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
233–548（316 aa）
|
Not recorded | CA CALCIUM ION × 3 ZN ZINC ION × 7 CL CHLORIDE ION × 4 MRD (4R)-2-METHYLPENTANE-2,4-DIOL × 2 XYP beta-D-xylopyranose × 4 MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；295 K；Well: 2 M AmSO4
Drop: 50 mg/mL protein in 45% DMSO, 0.5 M ZnCl2
|
Resolution 1.60 Å R-free 0.165 |
| 5UUC Tetragonal thermolysin cryocooled to 100 K with 50% mpd as cryoprotectant Deposited 2017-02-16 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
233–548（316 aa）
|
Not recorded | CA CALCIUM ION × 3 ZN ZINC ION × 9 CL CHLORIDE ION × 5 MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 4 MRD (4R)-2-METHYLPENTANE-2,4-DIOL × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；295 K；Well: 2 M AmSO4
Drop: 50 mg/mL protein in 45% DMSO, 0.5 M ZnCl2
|
Resolution 1.60 Å R-free 0.166 |
| 5UUD Tetragonal thermolysin cryocooled to 100 K with 50% dmf as cryoprotectant Deposited 2017-02-16 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
233–548（316 aa）
|
Not recorded | CA CALCIUM ION × 3 ZN ZINC ION × 6 CL CHLORIDE ION × 4 DMF DIMETHYLFORMAMIDE × 10 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；295 K；Well: ~2 M AmSO4
Drop: 50 mg/mL protein in 45% DMSO, 0.5 M ZnCl2
|
Resolution 1.60 Å R-free 0.193 |
| 5UUE Tetragonal thermolysin cryocooled to 100 K with 50% methanol as cryoprotectant Deposited 2017-02-16 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
233–548（316 aa）
|
Not recorded | CA CALCIUM ION × 3 ZN ZINC ION × 6 CL CHLORIDE ION × 4 MOH METHANOL × 8 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；295 K；Well: ~2 M AmSO4
Drop: 50 mg/mL protein in 45% DMSO, 0.5 M ZnCl2
|
Resolution 1.60 Å R-free 0.235 |
| 6D5N Hexagonal thermolysin (295) in the presence of 50% xylose Deposited 2018-04-19 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
233–548（316 aa）
|
Not recorded | VAL VALINE × 1 LYS LYSINE × 1 ZN ZINC ION × 1 CA CALCIUM ION × 4 XYP beta-D-xylopyranose × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；295 K；Protein: 100 mg/mL in 45% DMSO
Well: 2 M AmSO4
|
Resolution 2.00 Å R-free 0.187 |
| 6D5O Hexagonal thermolysin (295 K) in the presence of 50% DMF Deposited 2018-04-19 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
233–548（316 aa）
|
Not recorded | VAL VALINE × 1 LYS LYSINE × 1 ZN ZINC ION × 1 CA CALCIUM ION × 4 DMF DIMETHYLFORMAMIDE × 4 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；295 K；Protein: 100 mg/mL in 45% DMSO
Well: 2 M AmSO4
|
Resolution 2.00 Å R-free 0.193 |
| 6D5P Hexagonal thermolysin cryocooled to 100 K with 20% xylose as cryoprotectant Deposited 2018-04-19 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
233–548（316 aa）
|
Not recorded | VAL VALINE × 1 LYS LYSINE × 1 ZN ZINC ION × 1 CA CALCIUM ION × 4 XYP beta-D-xylopyranose × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；295 K；Protein: 100 mg/mL in 45% DMSO
|
Resolution 3.00 Å R-free 0.308 |
| 6D5Q Hexagonal thermolysin cryocooled to 100 K with 30% xylose as cryoprotectant Deposited 2018-04-19 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
233–548（316 aa）
|
Not recorded | VAL VALINE × 1 LYS LYSINE × 1 ZN ZINC ION × 1 CA CALCIUM ION × 4 XYP beta-D-xylopyranose × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；295 K；Protein: 100 mg/mL in 45% DMSO
Well: 2 M AmSO4
|
Resolution 2.00 Å R-free 0.298 |
| 6D5R Hexagonal thermolysin cryocooled to 100 K with 50% xylose as cryoprotectant Deposited 2018-04-19 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
233–548（316 aa）
|
Not recorded | VAL VALINE × 1 LYS LYSINE × 1 ZN ZINC ION × 1 CA CALCIUM ION × 4 XYP beta-D-xylopyranose × 4 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；295 K；Protein: 100 mg/mL in 45% DMSO
Well: 2 M AmSO4
|
Resolution 2.00 Å R-free 0.205 |
| 6D5S Hexagonal thermolysin cryocooled to 100 K with 50% MPD as cryoprotectant Deposited 2018-04-19 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
233–548（316 aa）
|
Not recorded | VAL VALINE × 1 LYS LYSINE × 1 ZN ZINC ION × 1 CA CALCIUM ION × 4 MRD (4R)-2-METHYLPENTANE-2,4-DIOL × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；295 K；Protein: 100 mg/mL in 45% dams
Well: 2 M AmSO4
|
Resolution 2.00 Å R-free 0.191 |
| 6D5T Hexagonal thermolysin cryocooled to 100 K with 50% MPD as cryoprotectant Deposited 2018-04-19 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
233–548（316 aa）
|
Not recorded | VAL VALINE × 1 LYS LYSINE × 1 ZN ZINC ION × 1 CA CALCIUM ION × 4 MRD (4R)-2-METHYLPENTANE-2,4-DIOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；295 K；Protein: 100 mg/mL in 45% DMSO
Well: 2 M AmSO4
|
Resolution 2.00 Å R-free 0.196 |
| 6D5U Hexagonal thermolysin cryocooled to 100 K with 50% methanol as cryoprotectant Deposited 2018-04-19 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
233–548（316 aa）
|
Not recorded | VAL VALINE × 1 LYS LYSINE × 1 ZN ZINC ION × 1 CA CALCIUM ION × 4 MOH METHANOL × 10 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；295 K；Protein: 100 mg/mL in 45% DMSO
Well: 2 M AmSO4
|
Resolution 2.00 Å R-free 0.223 |
| 6FJ2 Structure of Thermolysin solved from SAD data collected at the peak of the Zn absorption edge on ID30B Deposited 2018-01-19 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
233–548（316 aa）
|
Not recorded | ZN ZINC ION × 1 CA CALCIUM ION × 4 DMS DIMETHYL SULFOXIDE × 1 TMO trimethylamine oxide × 4 VAL VALINE × 1 LYS LYSINE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6；293 K；0.05M MES, 1M NaCl, 45% DMSO
|
Resolution 1.43 Å R-free 0.164 |
| 6IG7 Crystal structure of thermolysin delivered in polyacrylamide using x-ray free electron laser Deposited 2018-09-25 | 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: dimeric |
Chain A
233–548（316 aa）
|
Not recorded | ZN ZINC ION × 1 CA CALCIUM ION × 4 LEU LEUCINE × 1 LYS LYSINE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
SMALL TUBES；277.5 K；Tris-HCl, NaCl
|
Resolution 1.80 Å R-free 0.202 |
| 6LZN Thermolysin Deposited 2020-02-19 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
233–548（316 aa）
|
Not recorded | ZN ZINC ION × 1 CA CALCIUM ION × 3 POL N-PROPANOL × 1 GOL GLYCEROL × 1 ILE ISOLEUCINE × 1 LYS LYSINE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.5；294.15 K；Tris-HCl, glycerol, Ammonium sulfate
|
Resolution 1.50 Å R-free 0.180 |
| 6LZO Thermolysin with 1,10-phenanthroline Deposited 2020-02-19 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
233–548（316 aa）
|
Not recorded | CA CALCIUM ION × 2 PHN 1,10-PHENANTHROLINE × 7 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.5；294.15 K；Tris-HCl, glycerol, Ammonium sulfate
|
Resolution 1.80 Å R-free 0.211 |
| 6N4W Tetragonal thermolysin (with 50% xylose) cryocooled in a nitrogen gas stream to 100 K Deposited 2018-11-20 | 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
233–548（316 aa）
|
Not recorded | CA CALCIUM ION × 3 ZN ZINC ION × 7 XYP beta-D-xylopyranose × 9 XYS alpha-D-xylopyranose × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；295 K；Protein drop: 75 mg/mL protein in 45% DMSO/0.5 M ZnCl2, Well solution: 1 M Ammonium sulfate
|
Resolution 1.40 Å R-free 0.157 |
| 6N4Z Tetragonal thermolysin (with 50% xylose) plunge cooled in liquid nitrogen to 77 K Deposited 2018-11-20 | 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
233–548（316 aa）
|
Not recorded | CA CALCIUM ION × 3 ZN ZINC ION × 7 XYP beta-D-xylopyranose × 9 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；295 K；Drop: 75 mg/ml protein in 45% DMSO/0.5 ZnCl2, Well: 1 M Ammonium sulfate
|
Resolution 1.40 Å R-free 0.161 |
| 6QAR Thermolysine under 2 kbar of argon Deposited 2018-12-19 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
233–548（316 aa）
|
Not recorded | GOL GLYCEROL × 1 DMS DIMETHYL SULFOXIDE × 1 CA CALCIUM ION × 4 ZN ZINC ION × 1 AR ARGON × 20 CL CHLORIDE ION × 9 VAL VALINE × 1 LYS LYSINE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8；298 K；PROTEIN SOLUTION (110 MG/ML, TRIS BUFFER, CALCIUM ACETATE 0.5M) MIXED WITH RESERVOIR (45 % DMSO)
|
Resolution 1.85 Å R-free 0.196 |
| 6QF2 X-Ray structure of Thermolysin crystallized on a silicon chip Deposited 2019-01-09 | 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
233–548（316 aa）
|
Not recorded | ZN ZINC ION × 2 CA CALCIUM ION × 4 LEU LEUCINE × 1 LYS LYSINE × 1 NA SODIUM ION × 1 EDO 1,2-ETHANEDIOL × 8 PE5 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL × 1 PEG DI(HYDROXYETHYL)ETHER × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；295 K；0.1M MES-NaOH pH 6.5, 10mM calcium chloride, 25% PEG 2000
|
Resolution 1.73 Å R-free 0.161 |
| 6QF3 X-Ray structure of Thermolysin soaked with sodium aspartate on a silicon chip Deposited 2019-01-09 | 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
233–548（316 aa）
|
Not recorded | ZN ZINC ION × 1 CA CALCIUM ION × 4 P33 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL × 1 NA SODIUM ION × 4 EDO 1,2-ETHANEDIOL × 15 PGE TRIETHYLENE GLYCOL × 1 ASP ASPARTIC ACID × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；295 K；0.1M MES-NaOH pH 6.5, 10mM calcium chloride, 25% PEG 2000
|
Resolution 1.52 Å R-free 0.149 |
| 6SB9 Thermolysin in complex with J28 Deposited 2019-07-19 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain E
233–548（316 aa）
|
Not recorded | ZN ZINC ION × 1 CA CALCIUM ION × 4 DMS DIMETHYL SULFOXIDE × 5 45X 2-(pyridin-3-yl)ethanamine × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；291.15 K；50 MM TRIS/HCL, 1.9 M CSCL, 50% DMSO, PH 7.5
|
Resolution 1.30 Å R-free 0.151 |
| 6SBK THERMOLYSIN IN COMPLEX WITH FRAGMENT J13 Deposited 2019-07-21 | 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 E
233–548（316 aa）
|
Not recorded | ZN ZINC ION × 1 CA CALCIUM ION × 4 DMS DIMETHYL SULFOXIDE × 3 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 47J 1-(1,3-dimethyl-1H-pyrazol-5-yl)methanamine × 1 L4Z (2,5-dimethylpyrazol-3-yl)methylcarbamic acid × 1 IPA ISOPROPYL ALCOHOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；291.15 K；50 MM TRIS/HCL, 1.9 M CSCL, 50% DMSO, PH 7.5
|
Resolution 1.48 Å R-free 0.169 |
| 6SC0 THERMOLYSIN IN COMPLEX WITH FRAGMENT J22 Deposited 2019-07-23 | 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 E
233–548（316 aa）
|
Not recorded | CA CALCIUM ION × 4 ZN ZINC ION × 1 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 DMS DIMETHYL SULFOXIDE × 1 IPA ISOPROPYL ALCOHOL × 1 L5Q 5-methyl-~{N}-[2,2,2-tris(fluoranyl)ethyl]-1,2-oxazole-3-carboxamide × 1 BCT BICARBONATE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；291.15 K；50 MM TRIS/HCL, 1.9 M CSCL, 50% DMSO, PH 7.5
|
Resolution 1.53 Å R-free 0.166 |
| 6SC1 THERMOLYSIN IN COMPLEX WITH FRAGMENT J96 Deposited 2019-07-23 | 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 E
233–548（316 aa）
|
Not recorded | ZN ZINC ION × 1 CA CALCIUM ION × 4 L5W ~{N}-oxidanylbicyclo[2.2.1]heptane-1-carboxamide × 1 IPA ISOPROPYL ALCOHOL × 1 GOL GLYCEROL × 4 DMS DIMETHYL SULFOXIDE × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；291.15 K；50 MM TRIS/HCL, 1.9 M CSCL, 50% DMSO, PH 7.5
|
Resolution 1.56 Å R-free 0.175 |
| 6SC3 THERMOLYSIN IN COMPLEX WITH FRAGMENT J62 Deposited 2019-07-23 | 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 E
233–548（316 aa）
|
Not recorded | CA CALCIUM ION × 4 ZN ZINC ION × 1 BCT BICARBONATE ION × 1 0A9 methyl L-phenylalaninate × 1 DMS DIMETHYL SULFOXIDE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.5；291.15 K；50 MM TRIS/HCL, 1.9 M CSCL, 50% DMSO
|
Resolution 1.82 Å R-free 0.205 |
| 6SCK THERMOLYSIN IN COMPLEX WITH FRAGMENT J77 Deposited 2019-07-24 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain E
233–548（316 aa）
|
Not recorded | CA CALCIUM ION × 4 ZN ZINC ION × 1 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 DMS DIMETHYL SULFOXIDE × 6 DAR D-ARGININE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.5；291.15 K；50 MM TRIS/HCL, 1.9 M CSCL, 50% DMSO
|
Resolution 1.41 Å R-free 0.155 |
| 6SCU THERMOLYSIN IN COMPLEX WITH FRAGMENT J88 Deposited 2019-07-25 | 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 E
233–548（316 aa）
|
Not recorded | ZN ZINC ION × 1 CA CALCIUM ION × 4 DMS DIMETHYL SULFOXIDE × 1 88B 4-diazanyl-4-oxidanylidene-butanoic acid × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.5；291.15 K；50 MM TRIS/HCL, 1.9 M CSCL, 50% DMSO
|
Resolution 1.42 Å R-free 0.162 |
| 6SEL Multicrystal structure of Thermolysin at room temperature using a multilayer monochromator. Deposited 2019-07-30 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
233–548（316 aa）
|
Not recorded | ZN ZINC ION × 1 ILE ISOLEUCINE × 1 LYS LYSINE × 1 CA CALCIUM ION × 5 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6；293 K；Protein dissolved in 50 mM MES pH 6.0, 45% (v/v) DMSO to a concentration of 100 mg/ ml. Equal amounts of the protein solution and a solution containing 50 mM MES pH 6.0, 1.0 M NaCl, 45% (v/v) DMSO were mixed and equilibrated over a well containing 35% (v/v) saturated solution of ammonium sulphate.
|
Resolution 2.20 Å R-free 0.169 |
| 6TLI THERMOLYSIN (60% ISOPROPANOL SOAKED CRYSTALS) Deposited 1998-10-29 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–316（316 aa）
|
Not recorded | ZN ZINC ION × 1 CA CALCIUM ION × 4 DMS DIMETHYL SULFOXIDE × 1 IPA ISOPROPYL ALCOHOL × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7.5；pH 7.50
|
Resolution 2.10 Å R-free 0.222 |
| 6TMN Structures of two thermolysin-inhibitor complexes that differ by a single hydrogen bond Deposited 1987-06-29 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain E
1–316（316 aa）
|
Not recorded | 0PI N-[(2R,4S)-4-hydroxy-2-(2-methylpropyl)-4-oxido-7-oxo-9-phenyl-3,8-dioxa-6-aza-4-phosphanonan-1-oyl]-L-leucine × 1 CA CALCIUM ION × 4 ZN ZINC ION × 1 | X-RAY DIFFRACTION mmCIF provides none of the parsed conditions | Resolution 1.60 Å |
| 6ZHJ 3D electron diffraction structure of thermolysin from Bacillus thermoproteolyticus Deposited 2020-06-23 | 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
233–548（316 aa）
|
Not recorded | ZN ZINC ION × 1 CA CALCIUM ION × 4 |
ELECTRON CRYSTALLOGRAPHY
cryo-EM buffer
pH 6.5；MES 100 mM ph 6.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.26 Å R-free 0.292 |
| 7AKN Thermolysin from Bacillus thermoproteolyticus Deposited 2020-10-01 | 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
233–548（316 aa）
|
Not recorded | CA CALCIUM ION × 4 ZN ZINC ION × 1 VAL VALINE × 1 LYS LYSINE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；293 K；pH 7.5
|
Resolution 2.46 Å R-free 0.223 |
| 7TLI THERMOLYSIN (90% ISOPROPANOL SOAKED CRYSTALS) Deposited 1998-10-30 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–316（316 aa）
|
Not recorded | ZN ZINC ION × 1 CA CALCIUM ION × 4 DMS DIMETHYL SULFOXIDE × 1 IPA ISOPROPYL ALCOHOL × 8 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7.5；4.6MM THERMOLYSIN, 45% DMSO, 50MM TRIS-HCL, 2.5M CSCL, PH 7.5, pH 7.50
|
Resolution 1.95 Å R-free 0.213 |
| 7TLN STRUCTURAL ANALYSIS OF THE INHIBITION OF THERMOLYSIN BY AN ACTIVE-SITE-DIRECTED IRREVERSIBLE INHIBITOR Deposited 1983-01-27 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–316（316 aa）
|
Not recorded | CA CALCIUM ION × 4 ZN ZINC ION × 1 INC 2-(ACETYL-HYDROXY-AMINO)-4-METHYL-PENTANOIC ACID METHYL ESTER × 1 | X-RAY DIFFRACTION mmCIF provides none of the parsed conditions | Resolution 2.30 Å |
| 8TLI THERMOLYSIN (100% ISOPROPANOL SOAKED CRYSTALS) Deposited 1998-10-30 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–316（316 aa）
|
Not recorded | ZN ZINC ION × 1 CA CALCIUM ION × 4 DMS DIMETHYL SULFOXIDE × 1 IPA ISOPROPYL ALCOHOL × 11 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7.5；pH 7.50
|
Resolution 2.20 Å R-free 0.223 |
| 8TLN STRUCTURAL COMPARISON SUGGESTS THAT THERMOLYSIN AND RELATED NEUTRAL PROTEASES UNDERGO HINGE-BENDING MOTION DURING CATALYSIS Deposited 1993-09-01 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain E
1–316（316 aa）
|
Not recorded | VAL VALINE × 1 LYS LYSINE × 1 CA CALCIUM ION × 4 ZN ZINC ION × 1 DMS DIMETHYL SULFOXIDE × 1 | X-RAY DIFFRACTION mmCIF provides none of the parsed conditions | Resolution 1.60 Å |
| 8ZM4 Crystal structure of Thermolysin (Dose I) Deposited 2024-05-22 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
233–548（316 aa）
|
Not recorded | ZN ZINC ION × 1 CA CALCIUM ION × 4 ILE ISOLEUCINE × 1 LYS LYSINE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；293 K；Tris, Ammonium sulfate
|
Resolution 1.40 Å R-free 0.167 |
| 8ZM5 Crystal structure of Thermolysin (Dose II) Deposited 2024-05-22 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
233–548（316 aa）
|
Not recorded | ILE ISOLEUCINE × 1 LYS LYSINE × 1 ZN ZINC ION × 1 CA CALCIUM ION × 4 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；293 K；Tris, Ammonium sulfate
|
Resolution 1.40 Å R-free 0.168 |
| 8ZM6 Crystal structure of Thermolysin (Dose III) Deposited 2024-05-22 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
233–548（316 aa）
|
Not recorded | ILE ISOLEUCINE × 1 LYS LYSINE × 1 ZN ZINC ION × 1 CA CALCIUM ION × 4 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；293 K；Tris, Ammonium sulfate
|
Resolution 1.40 Å R-free 0.172 |
| 9F56 Identification of calcium ions in thermolysin. Deposited 2024-04-28 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
233–548（316 aa）
|
Not recorded | CA CALCIUM ION × 3 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6；293 K；1.2 M Ammonium Sulphate
|
Resolution 2.10 Å R-free 0.219 |
204 other PDB entries and 206 assemblies. Open the comparison page and filter oligomeric states
View Construct and Data Evidence
| UniProt name | THER_BACTH |
| Isoform | — |
| PDB entities | 1 |
| Chains and sequence ranges | Author chain A； PDBConstruct 1–62； UniProt 255–316 Author chain B； PDBConstruct 1–62； UniProt 255–316 |
