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Yorodumi- PDB-2gew: Atomic resolution structure of cholesterol oxidase @ pH 9.0 (Stre... -
+Open data
-Basic information
Entry | Database: PDB / ID: 2gew | ||||||
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Title | Atomic resolution structure of cholesterol oxidase @ pH 9.0 (Streptomyces sp. SA-COO) | ||||||
Components | Cholesterol oxidase | ||||||
Keywords | OXIDOREDUCTASE / FLAVOENZYME / STEROID METABOLISM / ATOMIC RESOLUTION / HYDROGEN BOND | ||||||
Function / homology | Function and homology information cholesterol oxidase / cholesterol oxidase activity / steroid Delta-isomerase / steroid delta-isomerase activity / cholesterol catabolic process / flavin adenine dinucleotide binding / extracellular region Similarity search - Function | ||||||
Biological species | Streptomyces sp. (bacteria) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / FOURIER SYNTHESIS / Resolution: 0.97 Å | ||||||
Authors | Lyubimov, A.Y. / Vrielink, A. | ||||||
Citation | Journal: Nat.Chem.Biol. / Year: 2006 Title: Atomic resolution crystallography reveals how changes in pH shape the protein microenvironment. Authors: Lyubimov, A.Y. / Lario, P.I. / Moustafa, I. / Vrielink, A. | ||||||
History |
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Remark 999 | SEQUENCE THE SEQUENCE OF MATURE CHOLESTEROL OXIDASE ENZYME RUNS FROM RESIDUES 43 - 546 IN THE ...SEQUENCE THE SEQUENCE OF MATURE CHOLESTEROL OXIDASE ENZYME RUNS FROM RESIDUES 43 - 546 IN THE SEQUENCE DATABASE. THE NUMBERING OF THE RESIDUES DIFFERS FROM THAT IN THE DATABASE DUE TO THIS DESCREPANCY IN THE SEQUENCE. IN ADDITION, THE NUMBERING HAS BEEN ADJUSTED TO CONFORM TO THAT FOUND IN THE STRUCTURE OF CHOLESTEROL OXIDASE FROM BREVIBACTERIUM STEROLICUM (ACCESSION CODE 3COX). THIS CHANGE IN THE NUMBERING SCHEME FACILITATES EASY COMPARISON OF THE TWO STRUCTURES. |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 2gew.cif.gz | 342.8 KB | Display | PDBx/mmCIF format |
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PDB format | pdb2gew.ent.gz | 280.8 KB | Display | PDB format |
PDBx/mmJSON format | 2gew.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/ge/2gew ftp://data.pdbj.org/pub/pdb/validation_reports/ge/2gew | HTTPS FTP |
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-Related structure data
Related structure data | 1n4uC 1n4vC 1n4wC 1mxtS S: Starting model for refinement C: citing same article (ref.) |
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Similar 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: 54969.676 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Details: FAD COFACTOR NON-COVALENTLY BOUND TO THE ENZYME / Source: (gene. exp.) Streptomyces sp. (bacteria) / Strain: SA-COO / Gene: choA / Plasmid: PCO202 / Production host: Escherichia coli (E. coli) / Strain (production host): BL21(DE3)PLYSS / References: UniProt: P12676, cholesterol oxidase |
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#2: Chemical | ChemComp-SO4 / |
#3: Chemical | ChemComp-FAD / |
#4: Chemical | ChemComp-OXY / |
#5: Water | ChemComp-HOH / |
-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION / Number of used crystals: 1 |
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-Sample preparation
Crystal | Density Matthews: 2.06 Å3/Da / Density % sol: 40.34 % |
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Crystal grow | Temperature: 298 K / Method: vapor diffusion, hanging drop / pH: 9 Details: PEG 8000, AMMONIUM SULFATE, PIPES PH 7.5,VAPOR DIFFUSION, HANGING DROP, temperature 298K, SOAK CONDITION STEP 1: PEG 8000, AMMONIUM SULFATE, HEPES PH 8.0 SOAK CONDITION STEP 2: PEG 8000, ...Details: PEG 8000, AMMONIUM SULFATE, PIPES PH 7.5,VAPOR DIFFUSION, HANGING DROP, temperature 298K, SOAK CONDITION STEP 1: PEG 8000, AMMONIUM SULFATE, HEPES PH 8.0 SOAK CONDITION STEP 2: PEG 8000, AMMONIUM SULFATE, TRICINE PH 8.5 SOAK CONDITION STEP 3: PEG 8000, AMMONIUM SULFATE, CHES PH 9.0, |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: SYNCHROTRON / Site: ALS / Beamline: 8.2.2 / Wavelength: 0.979 Å |
Detector | Type: ADSC QUANTUM 315 / Detector: CCD / Date: Jan 22, 2003 |
Radiation | Monochromator: CRYSTALS SI(111) / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.979 Å / Relative weight: 1 |
Reflection | Resolution: 0.97→31.3 Å / Num. obs: 243484 / % possible obs: 93 % / Redundancy: 4.5 % / Biso Wilson estimate: 7.8 Å2 / Rmerge(I) obs: 0.075 / Net I/σ(I): 11.8 |
Reflection shell | Resolution: 0.97→1 Å / Redundancy: 2.2 % / Rmerge(I) obs: 0.51 / Mean I/σ(I) obs: 1.9 / Num. unique all: 20631 / % possible all: 79 |
-Processing
Software |
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Refinement | Method to determine structure: FOURIER SYNTHESIS Starting model: 1MXT Resolution: 0.97→31.3 Å / Num. parameters: 46825 / Num. restraintsaints: 130462 / Cross valid method: FREE R / σ(F): 0 / Stereochemistry target values: Engh & Huber
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Refine analyze | Num. disordered residues: 112 / Occupancy sum hydrogen: 3423.06 / Occupancy sum non hydrogen: 4574.04 | |||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 0.97→31.3 Å
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Refine LS restraints |
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