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Open data
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Basic information
Entry | Database: PDB / ID: 1scb | ||||||
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Title | ENZYME CRYSTAL STRUCTURE IN A NEAT ORGANIC SOLVENT | ||||||
![]() | SUBTILISIN CARLSBERG | ||||||
![]() | SERINE PROTEASE | ||||||
Function / homology | ![]() subtilisin / serine-type endopeptidase activity / proteolysis / extracellular space / metal ion binding Similarity search - Function | ||||||
Biological species | ![]() ![]() | ||||||
Method | ![]() | ||||||
![]() | Fitzpatrick, P.A. / Steinmetz, A.C.U. / Ringe, D. / Klibanov, A.M. | ||||||
![]() | ![]() 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: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 63.7 KB | Display | ![]() |
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PDB format | ![]() | 46.4 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 378.6 KB | Display | ![]() |
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Full document | ![]() | 396.5 KB | Display | |
Data in XML | ![]() | 9.7 KB | Display | |
Data in CIF | ![]() | 13.9 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related 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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Atom site foot note | 1: PEPTIDE BOND DEVIATES SIGNIFICANTLY FROM TRANS CONFORMATION SER 125 - LEU 126 232.719 2: CIS PROLINE - PRO 168 |
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Components
#1: Protein | Mass: 27306.199 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() | ||||
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#2: Chemical | ChemComp-CA / | ||||
#3: Chemical | ChemComp-CCN / #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: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.1 Å3/Da / Density % sol: 41.3 % | |||||||||||||||
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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: 2.3 Å / Num. obs: 9512 / % possible obs: 87 % / Num. measured all: 28973 / Rmerge(I) obs: 0.063 |
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Processing
Software | Name: TNT / Classification: refinement | ||||||||||||||||||||||||||||||
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Refinement | Resolution: 2.3→10 Å /
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Refinement step | Cycle: LAST / Resolution: 2.3→10 Å
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Refine LS restraints |
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Software | *PLUS Name: TNT / Classification: refinement | ||||||||||||||||||||||||||||||
Refinement | *PLUS Rfactor obs: 0.184 | ||||||||||||||||||||||||||||||
Solvent computation | *PLUS | ||||||||||||||||||||||||||||||
Displacement parameters | *PLUS | ||||||||||||||||||||||||||||||
Refine LS restraints | *PLUS Type: t_angle_d / Dev ideal: 1.8 |