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Yorodumi- PDB-1scn: INACTIVATION OF SUBTILISIN CARLSBERG BY N-(TERT-BUTOXYCARBONYL-AL... -
+Open data
-Basic information
Entry | Database: PDB / ID: 1scn | ||||||
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Title | INACTIVATION OF SUBTILISIN CARLSBERG BY N-(TERT-BUTOXYCARBONYL-ALANYL-PROLYL-PHENYLALANYL)-O-BENZOL HYDROXYLAMINE: FORMATION OF COVALENT ENZYME-INHIBITOR LINKAGE IN THE FORM OF A CARBAMATE DERIVATIVE | ||||||
Components | SUBTILISIN CARLSBERG | ||||||
Keywords | hydrolase/hydrolase INHIBITOR / HYDROLASE-HYDROLASE INHIBITOR COMPLEX / SERINE PROTEINASE | ||||||
Function / homology | Function and homology information subtilisin / serine-type endopeptidase activity / proteolysis / extracellular space / metal ion binding Similarity search - Function | ||||||
Biological species | Bacillus licheniformis (bacteria) | ||||||
Method | X-RAY DIFFRACTION / Resolution: 1.9 Å | ||||||
Authors | Steinmetz, A.C.U. / Demuth, H.-U. / Ringe, D. | ||||||
Citation | Journal: Biochemistry / Year: 1994 Title: Inactivation of subtilisin Carlsberg by N-((tert-butoxycarbonyl)alanylprolylphenylalanyl)-O-benzolhydroxyl- amine: formation of a covalent enzyme-inhibitor linkage in the form of a carbamate derivative. Authors: Steinmetz, A.C. / Demuth, H.U. / Ringe, D. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 1scn.cif.gz | 61.3 KB | Display | PDBx/mmCIF format |
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PDB format | pdb1scn.ent.gz | 47.7 KB | Display | PDB format |
PDBx/mmJSON format | 1scn.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 1scn_validation.pdf.gz | 448.9 KB | Display | wwPDB validaton report |
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Full document | 1scn_full_validation.pdf.gz | 461.6 KB | Display | |
Data in XML | 1scn_validation.xml.gz | 9.5 KB | Display | |
Data in CIF | 1scn_validation.cif.gz | 13.9 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/sc/1scn ftp://data.pdbj.org/pub/pdb/validation_reports/sc/1scn | HTTPS FTP |
-Related structure data
Similar structure data |
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-Links
-Assembly
Deposited unit |
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1 |
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Unit cell |
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Atom site foot note | 1: CIS PROLINE - PRO E 168 2: PRO E 210 - THR E 211 OMEGA = 348.77 PEPTIDE BOND DEVIATES SIGNIFICANTLY FROM TRANS CONFORMATION |
-Components
#1: Protein | Mass: 27474.395 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: Chemical | ChemComp-0EF / | ||||||
#3: Chemical | #4: Chemical | ChemComp-NA / | #5: Water | ChemComp-HOH / | Sequence details | THE SEQUENCE USED IN THIS ENTRY IS THE SAME AS USED IN PDB ENTRIES 1SCA AND 1SCB. | |
-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION |
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-Sample preparation
Crystal | Density Matthews: 2.03 Å3/Da / Density % sol: 39.27 % |
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Crystal grow | *PLUS Method: batch method |
-Data collection
Reflection | *PLUS Highest resolution: 1.9 Å / Num. obs: 17548 / % possible obs: 87.6 % / Num. measured all: 38539 / Rmerge(I) obs: 0.115 |
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-Processing
Software | Name: TNT / Classification: refinement | ||||||||||||||||||||||||||||||
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Refinement | Resolution: 1.9→20 Å /
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Refinement step | Cycle: LAST / Resolution: 1.9→20 Å
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Refine LS restraints |
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Software | *PLUS Name: TNT / Classification: refinement | ||||||||||||||||||||||||||||||
Refinement | *PLUS Rfactor obs: 0.191 | ||||||||||||||||||||||||||||||
Solvent computation | *PLUS | ||||||||||||||||||||||||||||||
Displacement parameters | *PLUS | ||||||||||||||||||||||||||||||
Refine LS restraints | *PLUS
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