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Yorodumi- PDB-1e97: Crystal structure of ketosteroid isomerase from Pseudomonas putid... -
+Open data
-Basic information
Entry | Database: PDB / ID: 1.0E+97 | ||||||
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Title | Crystal structure of ketosteroid isomerase from Pseudomonas putida ; triple mutant y16f/y32f/y57f | ||||||
Components | STEROID DELTA-ISOMERASE | ||||||
Keywords | ISOMERASE / KETOSTEROID ISOMERASE / LBHB | ||||||
Function / homology | Function and homology information steroid Delta-isomerase / steroid delta-isomerase activity / steroid metabolic process Similarity search - Function | ||||||
Biological species | PSEUDOMONAS PUTIDA (bacteria) | ||||||
Method | X-RAY DIFFRACTION / OTHER / Resolution: 2 Å | ||||||
Authors | Ha, N.-C. / Oh, B.-H. | ||||||
Citation | Journal: Biochemistry / Year: 2001 Title: Peudoreversion of the Catalytic Activity of Y14F by the Additional Substitution(S) of Tyrosine with Phenylalanine in the Hydrogen Bond Network of Delta 5-3-Ketosteroid Isomerase from Pseudomonas Putida Biotype B Authors: Choi, G. / Ha, N.-C. / Kim, M.-S. / Hong, B.-H. / Kim, D.-H. / Oh, B.-H. / Choi, K.Y. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 1e97.cif.gz | 36.6 KB | Display | PDBx/mmCIF format |
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PDB format | pdb1e97.ent.gz | 25.1 KB | Display | PDB format |
PDBx/mmJSON format | 1e97.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 1e97_validation.pdf.gz | 367.7 KB | Display | wwPDB validaton report |
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Full document | 1e97_full_validation.pdf.gz | 370.6 KB | Display | |
Data in XML | 1e97_validation.xml.gz | 4.1 KB | Display | |
Data in CIF | 1e97_validation.cif.gz | 6 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/e9/1e97 ftp://data.pdbj.org/pub/pdb/validation_reports/e9/1e97 | HTTPS FTP |
-Related structure data
-Links
-Assembly
Deposited unit |
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1 |
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Unit cell |
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-Components
#1: Protein | Mass: 14500.501 Da / Num. of mol.: 1 / Mutation: YES Source method: isolated from a genetically manipulated source Source: (gene. exp.) PSEUDOMONAS PUTIDA (bacteria) / Production host: ESCHERICHIA COLI (E. coli) / References: UniProt: P07445, steroid Delta-isomerase |
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#2: Water | ChemComp-HOH / |
Compound details | CHAIN A ENGINEERED |
-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION / Number of used crystals: 1 |
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-Sample preparation
Crystal | Density Matthews: 2.25 Å3/Da / Density % sol: 45.41 % | ||||||||||||||||||||||||||||||||||||||||
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Crystal grow | pH: 4.6 / Details: pH 4.60 | ||||||||||||||||||||||||||||||||||||||||
Crystal grow | *PLUS Temperature: 22 ℃ / pH: 7 / Method: vapor diffusion, hanging drop / Details: Kim, S.W., (1997) Biochemistry, 36, 14030. | ||||||||||||||||||||||||||||||||||||||||
Components of the solutions | *PLUS
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-Data collection
Diffraction | Mean temperature: 298 K |
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Diffraction source | Source: ROTATING ANODE / Wavelength: 1.5418 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.5418 Å / Relative weight: 1 |
Reflection | Resolution: 2→20 Å / Num. obs: 9195 / % possible obs: 93.1 % / Observed criterion σ(I): 0.5 / Redundancy: 8 % / Rmerge(I) obs: 0.081 / Rsym value: 0.081 / Net I/σ(I): 13 |
-Processing
Software | Name: X-PLOR / Version: 3.81 / Classification: refinement | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
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Refinement | Method to determine structure: OTHER / Resolution: 2→8 Å / σ(F): 2
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Refinement step | Cycle: LAST / Resolution: 2→8 Å
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Refine LS restraints |
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Software | *PLUS Version: 3.81 / Classification: refinement | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement | *PLUS Rfactor obs: 0.19 / Rfactor Rwork: 0.19 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Solvent computation | *PLUS | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | *PLUS Biso mean: 26.43 Å2 |