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Yorodumi- PDB-1sib: REFINED CRYSTAL STRUCTURES OF SUBTILISIN NOVO IN COMPLEX WITH WIL... -
+Open data
-Basic information
Entry | Database: PDB / ID: 1sib | ||||||
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Title | REFINED CRYSTAL STRUCTURES OF SUBTILISIN NOVO IN COMPLEX WITH WILD-TYPE AND TWO MUTANT EGLINS. COMPARISON WITH OTHER SERINE PROTEINASE INHIBITOR COMPLEXES | ||||||
Components |
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Keywords | SERINE PROTEASE/INHIBITOR COMPLEX / SERINE PROTEASE-INHIBITOR COMPLEX / SERINE PROTEASE-INHIBITOR COMPLEX complex | ||||||
Function / homology | Function and homology information subtilisin / sporulation resulting in formation of a cellular spore / fibrinolysis / serine-type endopeptidase inhibitor activity / response to wounding / serine-type endopeptidase activity / proteolysis / extracellular space / metal ion binding Similarity search - Function | ||||||
Biological species | Bacillus subtilis (bacteria) Hirudo medicinalis (medicinal leech) | ||||||
Method | X-RAY DIFFRACTION / Resolution: 2.4 Å | ||||||
Authors | Gruetter, M.G. / Heinz, D.W. / Priestle, J.P. | ||||||
Citation | Journal: J.Mol.Biol. / Year: 1991 Title: Refined crystal structures of subtilisin novo in complex with wild-type and two mutant eglins. Comparison with other serine proteinase inhibitor complexes. Authors: Heinz, D.W. / Priestle, J.P. / Rahuel, J. / Wilson, K.S. / Grutter, M.G. #1: Journal: Embo J. / Year: 1986 Title: Refined 1.2 Angstroms Crystal Structure of the Complex Formed between Subtilisin Carlsberg and the Inhibitor Eglin C. Molecular Structure of Eglin and its Detailed Interaction with Subtilisin Authors: Bode, W. / Papamokos, E. / Musil, D. / Seemueller, U. / Fritz, H. #2: 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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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 1sib.cif.gz | 81.1 KB | Display | PDBx/mmCIF format |
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PDB format | pdb1sib.ent.gz | 60.5 KB | Display | PDB format |
PDBx/mmJSON format | 1sib.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 1sib_validation.pdf.gz | 377.3 KB | Display | wwPDB validaton report |
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Full document | 1sib_full_validation.pdf.gz | 408.1 KB | Display | |
Data in XML | 1sib_validation.xml.gz | 12.7 KB | Display | |
Data in CIF | 1sib_validation.cif.gz | 18.8 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/si/1sib ftp://data.pdbj.org/pub/pdb/validation_reports/si/1sib | HTTPS FTP |
-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. |
-Components
#1: Protein | Mass: 27552.525 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Bacillus subtilis (bacteria) / References: UniProt: P00782, subtilisin | ||
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#2: Protein | Mass: 8071.996 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Hirudo medicinalis (medicinal leech) / Production host: Escherichia coli (E. coli) / References: UniProt: P01051 | ||
#3: Chemical | #4: Water | ChemComp-HOH / | |
-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION |
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-Sample preparation
Crystal | Density Matthews: 2.6 Å3/Da / Density % sol: 52.7 % | ||||||||||||||||||||
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Crystal grow | *PLUS pH: 6 / Method: vapor diffusion, hanging drop | ||||||||||||||||||||
Components of the solutions | *PLUS
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-Data collection
Reflection | *PLUS Highest resolution: 2.4 Å / Num. obs: 24538 / Rmerge(I) obs: 0.097 / Num. measured all: 74306 |
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-Processing
Software | Name: PROLSQ / Classification: refinement | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
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Refinement | Resolution: 2.4→5 Å / σ(F): 0 /
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Refinement step | Cycle: LAST / Resolution: 2.4→5 Å
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Refine LS restraints |
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Refinement | *PLUS Highest resolution: 2.4 Å / Lowest resolution: 5 Å / Num. reflection obs: 11195 / σ(F): 0 / Rfactor obs: 0.159 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Solvent computation | *PLUS | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | *PLUS |