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Yorodumi- PDB-2sec: STRUCTURAL COMPARISON OF TWO SERINE PROTEINASE-PROTEIN INHIBITOR ... -
+Open data
-Basic information
Entry | Database: PDB / ID: 2sec | |||||||||
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Title | STRUCTURAL COMPARISON OF TWO SERINE PROTEINASE-PROTEIN INHIBITOR COMPLEXES. EGLIN-C-SUBTILISIN CARLSBERG AND CI-2-SUBTILISIN NOVO | |||||||||
Components |
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Keywords | COMPLEX(SERINE PROTEINASE-INHIBITOR) | |||||||||
Function / homology | Function and homology information subtilisin / response to wounding / serine-type endopeptidase inhibitor activity / serine-type endopeptidase activity / proteolysis / extracellular space / metal ion binding Similarity search - Function | |||||||||
Biological species | Bacillus licheniformis (bacteria) Hirudo medicinalis (medicinal leech) | |||||||||
Method | X-RAY DIFFRACTION / Resolution: 1.8 Å | |||||||||
Authors | Mcphalen, C.A. / James, M.N.G. | |||||||||
Citation | Journal: Biochemistry / Year: 1988 Title: Structural comparison of two serine proteinase-protein inhibitor complexes: eglin-c-subtilisin Carlsberg and CI-2-subtilisin Novo. Authors: McPhalen, C.A. / James, M.N. #1: Journal: FEBS Lett. / Year: 1985 Title: Crystal and Molecular Structure of the Inhibitor Eglin from Leeches in Complex with Subtilisin Carlsberg Authors: Mcphalen, C.A. / Schnebli, H.P. / James, M.N.G. | |||||||||
History |
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Remark 700 | SHEET THE CROSS-OVER CONNECTION BETWEEN STRANDS 1 AND 2 OF SHEET S1E IS LEFT-HANDED. THE BETA-SHEET ...SHEET THE CROSS-OVER CONNECTION BETWEEN STRANDS 1 AND 2 OF SHEET S1E IS LEFT-HANDED. THE BETA-SHEET OF THE INHIBITOR IS IRREGULAR, WITH WELL-ORDERED WATER MOLECULES PROVIDING ALL HYDROGEN-BONDING BRIDGES BETWEEN STRANDS 2 AND 3. SEE THE REFERENCE CITED ON THE *JRNL* RECORDS ABOVE. |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 2sec.cif.gz | 78.9 KB | Display | PDBx/mmCIF format |
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PDB format | pdb2sec.ent.gz | 57.6 KB | Display | PDB format |
PDBx/mmJSON format | 2sec.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/se/2sec ftp://data.pdbj.org/pub/pdb/validation_reports/se/2sec | HTTPS FTP |
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-Related structure data
-Links
-Assembly
Deposited unit |
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1 |
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Unit cell |
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Atom site foot note | 1: RESIDUE PRO E 168 IS A CIS PROLINE. / 2: RESIDUE THR E 211 IS A CIS THREONINE. |
-Components
#1: Protein | Mass: 27306.199 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Bacillus licheniformis (bacteria) / References: UniProt: P00780, subtilisin | ||||
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#2: Protein | Mass: 8099.025 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Hirudo medicinalis (medicinal leech) / Production host: unidentified (others) / References: UniProt: P01051 | ||||
#3: Chemical | #4: Water | ChemComp-HOH / | Sequence details | SUBTILISIN HAS BEEN ASSIGNED CHAIN IDENTIFIER *E* AND EGLIN C HAS BEEN ASSIGNED CHAIN IDENTIFIER ...SUBTILISIN | |
-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION |
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-Sample preparation
Crystal | Density Matthews: 2.29 Å3/Da / Density % sol: 46.31 % | ||||||||||||||||||
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Crystal | *PLUS Density % sol: 44 % | ||||||||||||||||||
Crystal grow | *PLUS pH: 5.5 / Method: vapor diffusion, hanging dropDetails: McPhalen, C.A., (1985) Proc. Natl. Acad. Sci. USA., 82, 7242. | ||||||||||||||||||
Components of the solutions | *PLUS
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-Processing
Software | Name: PROLSQ / Classification: refinement | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
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Refinement | Resolution: 1.8→8 Å / σ(I): 1 /
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Refinement step | Cycle: LAST / Resolution: 1.8→8 Å
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Refine LS restraints |
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Software | *PLUS Name: PROLSQ / Classification: refinement | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement | *PLUS Rfactor obs: 0.136 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Solvent computation | *PLUS | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | *PLUS |