+Open data
-Basic information
Entry | Database: PDB / ID: 1sca | ||||||
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Title | ENZYME CRYSTAL STRUCTURE IN A NEAT ORGANIC SOLVENT | ||||||
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 Å | ||||||
Authors | Fitzpatrick, P.A. / Steinmetz, A.C.U. / Ringe, D. / Klibanov, A.M. | ||||||
Citation | Journal: Proc.Natl.Acad.Sci.USA / Year: 1993 Title: Enzyme crystal structure in a neat organic solvent. Authors: Fitzpatrick, P.A. / Steinmetz, A.C. / Ringe, D. / Klibanov, A.M. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 1sca.cif.gz | 63.6 KB | Display | PDBx/mmCIF format |
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PDB format | pdb1sca.ent.gz | 45.8 KB | Display | PDB format |
PDBx/mmJSON format | 1sca.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/sc/1sca ftp://data.pdbj.org/pub/pdb/validation_reports/sc/1sca | 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: CIS PROLINE - PRO 168 2: PRO 210 - THR 211 OMEGA ANGLE = 355.466 PEPTIDE BOND DEVIATES SIGNIFICANTLY FROM TRANS CONFORMATION 3: RESIDUE SER 190 IS MODELED WITH WITH TWO CONFORMATIONS FOR THE SIDE CHAIN WITH OCCUPANCIES OF 0.5. |
-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: Chemical | #3: Chemical | ChemComp-NA / | #4: Water | ChemComp-HOH / | Sequence details | SEQUENCE ADVISORY NOTICE: DIFFERENCE BETWEEN SWISS-PROT AND PDB SEQUENCE. SWISS-PROT ENTRY NAME: ...SEQUENCE ADVISORY NOTICE: DIFFERENCE | |
-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION |
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-Sample preparation
Crystal | Density Matthews: 2.07 Å3/Da / Density % sol: 40.51 % | |||||||||||||||
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Crystal | *PLUS Density % sol: 42 % | |||||||||||||||
Crystal grow | *PLUS pH: 5.6 / Method: batch method | |||||||||||||||
Components of the solutions | *PLUS
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-Data collection
Reflection | *PLUS Highest resolution: 2 Å / Num. obs: 14163 / % possible obs: 89 % / Num. measured all: 37495 / Rmerge(I) obs: 0.068 |
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-Processing
Software | Name: TNT / Classification: refinement | ||||||||||||||||||||||||||||||
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Refinement | Resolution: 2→20 Å /
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Refinement step | Cycle: LAST / Resolution: 2→20 Å
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Refine LS restraints |
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Software | *PLUS Name: TNT / Classification: refinement | ||||||||||||||||||||||||||||||
Refinement | *PLUS Rfactor obs: 0.156 | ||||||||||||||||||||||||||||||
Solvent computation | *PLUS | ||||||||||||||||||||||||||||||
Displacement parameters | *PLUS | ||||||||||||||||||||||||||||||
Refine LS restraints | *PLUS Type: t_angle_d / Dev ideal: 3 |