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Yorodumi- PDB-1ocv: the F116W mutant structure of ketosteroid isomerase from Comamona... -
+Open data
-Basic information
Entry | Database: PDB / ID: 1ocv | ||||||
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Title | the F116W mutant structure of ketosteroid isomerase from Comamonas testosteroni | ||||||
Components | STEROID DELTA-ISOMERASE | ||||||
Keywords | KETOSTEROID ISOMERASE / DELTA-5-3-KETOSTEROID | ||||||
Function / homology | Function and homology information steroid Delta-isomerase / steroid delta-isomerase activity / steroid metabolic process Similarity search - Function | ||||||
Biological species | COMAMONAS TESTOSTERONI (bacteria) | ||||||
Method | X-RAY DIFFRACTION / MOLECULAR REPLACEMENT / Resolution: 2 Å | ||||||
Authors | Yun, Y.S. / Lee, T.-H. / Shin, S. | ||||||
Citation | Journal: J.Biol.Chem. / Year: 2003 Title: Origin of the Different Ph Activity Profile in Two Homologous Ketosteroid Isomerases Authors: Yun, Y.S. / Lee, T.-H. / Nam, G.H. / Jang, D.S. / Shin, S. / Oh, B.-H. / Choi, K.Y. | ||||||
History |
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Remark 700 | SHEET THE SHEET STRUCTURE OF THIS MOLECULE IS BIFURCATED. IN ORDER TO REPRESENT THIS FEATURE IN ... SHEET THE SHEET STRUCTURE OF THIS MOLECULE IS BIFURCATED. IN ORDER TO REPRESENT THIS FEATURE IN THE SHEET RECORDS BELOW, TWO SHEETS ARE DEFINED. |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 1ocv.cif.gz | 112.8 KB | Display | PDBx/mmCIF format |
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PDB format | pdb1ocv.ent.gz | 87 KB | Display | PDB format |
PDBx/mmJSON format | 1ocv.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/oc/1ocv ftp://data.pdbj.org/pub/pdb/validation_reports/oc/1ocv | HTTPS FTP |
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-Related structure data
Related structure data | 8choS S: Starting model for refinement |
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Similar structure data |
-Links
-Assembly
Deposited unit |
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1 |
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2 |
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Unit cell |
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-Components
#1: Protein | Mass: 13463.190 Da / Num. of mol.: 4 / Mutation: YES Source method: isolated from a genetically manipulated source Source: (gene. exp.) COMAMONAS TESTOSTERONI (bacteria) / Plasmid: PKK223-3 / Production host: ESCHERICHIA COLI (E. coli) / Strain (production host): BL21(DE3) / References: UniProt: P00947, steroid Delta-isomerase #2: Water | ChemComp-HOH / | Compound details | ENGINEERED | |
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-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION / Number of used crystals: 1 |
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-Sample preparation
Crystal | Density Matthews: 2.83 Å3/Da / Density % sol: 56.6 % | ||||||||||||||||||||||||
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Crystal grow | pH: 7.5 / Details: pH 7.50 | ||||||||||||||||||||||||
Crystal grow | *PLUS Temperature: 25 ℃ / pH: 7.5 / Method: vapor diffusion, hanging drop | ||||||||||||||||||||||||
Components of the solutions | *PLUS
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-Data collection
Diffraction | Mean temperature: 83 K |
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Diffraction source | Source: ROTATING ANODE / Type: RIGAKU ULTRAX 18 / Wavelength: 1.5418 |
Detector | Date: Jan 15, 2002 / Details: MIRRORS |
Radiation | Monochromator: NI FILTER / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.5418 Å / Relative weight: 1 |
Reflection | Resolution: 2→50 Å / Num. obs: 34868 / % possible obs: 91.8 % / Observed criterion σ(I): 1 / Redundancy: 2.96 % / Rmerge(I) obs: 0.06 |
Reflection | *PLUS Highest resolution: 2 Å / Rmerge(I) obs: 0.06 |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: PDB ENTRY 8CHO Resolution: 2→50 Å / σ(F): 1
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Refinement step | Cycle: LAST / Resolution: 2→50 Å
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Refine LS restraints |
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Refinement | *PLUS Highest resolution: 2 Å | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Solvent computation | *PLUS | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | *PLUS |