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Open data
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Basic information
Entry | Database: PDB / ID: 1tli | ||||||
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Title | THERMOLYSIN (2% ISOPROPANOL SOAKED CRYSTALS) | ||||||
![]() | THERMOLYSIN | ||||||
![]() | HYDROLASE / METALLOPROTEINASE / ORGANIC SOLVENT | ||||||
Function / homology | ![]() thermolysin / metalloendopeptidase activity / proteolysis / extracellular region / metal ion binding Similarity search - Function | ||||||
Biological species | ![]() ![]() | ||||||
Method | ![]() | ||||||
![]() | English, A.C. / Done, S.H. / Groom, C.R. / Hubbard, R.E. | ||||||
![]() | ![]() Title: Locating interaction sites on proteins: the crystal structure of thermolysin soaked in 2% to 100% isopropanol. Authors: English, A.C. / Done, S.H. / Caves, L.S. / Groom, C.R. / Hubbard, R.E. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 78.7 KB | Display | ![]() |
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PDB format | ![]() | 58.6 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 438.6 KB | Display | ![]() |
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Full document | ![]() | 443 KB | Display | |
Data in XML | ![]() | 15.2 KB | Display | |
Data in CIF | ![]() | 21.7 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 1tlxC ![]() 2tliC ![]() 2tlxC ![]() 3tliC ![]() 4tliC ![]() 5tliC ![]() 6tliC ![]() 7tliC ![]() 8tliC C: citing same article ( |
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Similar structure data |
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Links
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Assembly
Deposited unit | ![]()
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1 | ![]()
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Unit cell |
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Components
#1: Protein | Mass: 34362.305 Da / Num. of mol.: 1 / Source method: isolated from a natural source / Source: (natural) ![]() ![]() | ||||||
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#2: Chemical | ChemComp-ZN / | ||||||
#3: Chemical | ChemComp-CA / #4: Chemical | ChemComp-DMS / | #5: Water | ChemComp-HOH / | Compound details | THE ACTIVE SITE CLEFT OF THERMOLYSI | |
-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.43 Å3/Da / Density % sol: 49.28 % | |||||||||||||||||||||||||||||||||||
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Crystal grow | pH: 7.5 / Details: pH 7.5 | |||||||||||||||||||||||||||||||||||
Crystal grow | *PLUS Method: unknown | |||||||||||||||||||||||||||||||||||
Components of the solutions | *PLUS
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-Data collection
Diffraction | Mean temperature: 293 K |
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Diffraction source | Source: ![]() |
Detector | Type: MARRESEARCH / Detector: IMAGE PLATE / Date: Sep 1, 1997 |
Radiation | Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.5418 Å / Relative weight: 1 |
Reflection | Resolution: 2.05→30 Å / Num. obs: 20770 / % possible obs: 95 % / Redundancy: 7.2 % / Biso Wilson estimate: 20.79 Å2 / Rmerge(I) obs: 0.112 / Net I/σ(I): 5.5 |
Reflection shell | Resolution: 2.05→2.19 Å / Redundancy: 7.4 % / Rmerge(I) obs: 0.346 / Mean I/σ(I) obs: 2.2 / % possible all: 93 |
Reflection shell | *PLUS % possible obs: 93 % |
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Processing
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Refinement | Method to determine structure: ISOMORPHOUS REPLACEMENT / Resolution: 2.05→30 Å / Cross valid method: THROUGHOUT / σ(F): 0 / ESU R: 0.19 / ESU R Free: 0.17 Details: THIS ENTRY FORMS PART OF A SERIES OF STRUCTURES GENERATED FROM SOAKING CRYSTALS OF THERMOLYSIN IN ISOPROPANOL. AT THIS CONCENTRATION (2% ISOPROPANOL) THERE IS NO ELECTRON DENSITY ...Details: THIS ENTRY FORMS PART OF A SERIES OF STRUCTURES GENERATED FROM SOAKING CRYSTALS OF THERMOLYSIN IN ISOPROPANOL. AT THIS CONCENTRATION (2% ISOPROPANOL) THERE IS NO ELECTRON DENSITY CORRESPONDING TO THE DIPEPTIDE OBSERVED IN THE ACTIVE SITE OF THE NATIVE ENZYME.
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Refinement step | Cycle: LAST / Resolution: 2.05→30 Å
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Refine LS restraints |
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Software | *PLUS Name: REFMAC / Classification: refinement | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement | *PLUS Rfactor Rfree: 0.227 / Rfactor Rwork: 0.165 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Solvent computation | *PLUS | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | *PLUS | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refine LS restraints | *PLUS
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