[English] 日本語
Yorodumi- PDB-1scd: X-RAY CRYSTAL STRUCTURE OF CROSS-LINKED SUBTILISM CARLSBERG IN WA... -
+Open data
-Basic information
Entry | Database: PDB / ID: 1scd | ||||||
---|---|---|---|---|---|---|---|
Title | X-RAY CRYSTAL STRUCTURE OF CROSS-LINKED SUBTILISM CARLSBERG IN WATER VS. ACETONITRILE | ||||||
Components | SUBTILISIN CARLSBERG | ||||||
Keywords | SERINE PROTEASE | ||||||
Function / homology | Function and homology information subtilisin / serine-type endopeptidase activity / proteolysis / extracellular region / metal ion binding Similarity search - Function | ||||||
Biological species | Bacillus licheniformis (bacteria) | ||||||
Method | X-RAY DIFFRACTION / Resolution: 2.3 Å | ||||||
Authors | Fitzpatrick, P.A. / Ringe, D. / Klibanov, A.M. | ||||||
Citation | Journal: Biochem.Biophys.Res.Commun. / Year: 1994 Title: X-ray crystal structure of cross-linked subtilisin Carlsberg in water vs. acetonitrile. Authors: Fitzpatrick, P.A. / Ringe, D. / Klibanov, A.M. | ||||||
History |
|
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
---|
-Downloads & links
-Download
PDBx/mmCIF format | 1scd.cif.gz | 62.2 KB | Display | PDBx/mmCIF format |
---|---|---|---|---|
PDB format | pdb1scd.ent.gz | 45 KB | Display | PDB format |
PDBx/mmJSON format | 1scd.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 1scd_validation.pdf.gz | 373 KB | Display | wwPDB validaton report |
---|---|---|---|---|
Full document | 1scd_full_validation.pdf.gz | 383.1 KB | Display | |
Data in XML | 1scd_validation.xml.gz | 8 KB | Display | |
Data in CIF | 1scd_validation.cif.gz | 12.1 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/sc/1scd ftp://data.pdbj.org/pub/pdb/validation_reports/sc/1scd | HTTPS FTP |
-Related structure data
Similar structure data |
---|
-Links
-Assembly
Deposited unit |
| ||||||||
---|---|---|---|---|---|---|---|---|---|
1 |
| ||||||||
Unit cell |
| ||||||||
Atom site foot note | 1: CIS PROLINE - PRO 168 2: PRO 210 - THR 211 OMEGA =215.36 PEPTIDE BOND DEVIATES SIGNIFICANTLY FROM TRANS CONFORMATION |
-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 | ||||
---|---|---|---|---|---|
#2: Chemical | #3: Water | ChemComp-HOH / | Sequence details | THE SEQUENCE NUMBERING USED FOR SUBTILISIN IS BASED ON THAT OF SUBTILISIN BPN' WITH A SINGLE ...THE SEQUENCE NUMBERING USED FOR SUBTILISIN | |
-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION |
---|
-Sample preparation
Crystal | Density Matthews: 2.12 Å3/Da / Density % sol: 41.9 % | |||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Crystal | *PLUS Density % sol: 42 % | |||||||||||||||
Crystal grow | *PLUS pH: 5.6 / Method: batch method | |||||||||||||||
Components of the solutions | *PLUS
|
-Data collection
Reflection | *PLUS Highest resolution: 2.3 Å / Num. obs: 9464 / % possible obs: 86 % / Num. measured all: 39330 / Rmerge(I) obs: 0.095 |
---|
-Processing
Software | Name: PROLSQ / Classification: refinement | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Refinement | Resolution: 2.3→10 Å /
| |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 2.3→10 Å
| |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refine LS restraints |
| |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Software | *PLUS Name: PROLSQ / Classification: refinement | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement | *PLUS Rfactor obs: 0.146 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Solvent computation | *PLUS | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | *PLUS Biso mean: 14 Å2 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refine LS restraints | *PLUS
|