+Open data
-Basic information
Entry | Database: PDB / ID: 2h8z | ||||||
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Title | Xenobiotic Reductase A in complex with 8-Hydroxycoumarin | ||||||
Components | Xenobiotic reductase A | ||||||
Keywords | OXIDOREDUCTASE / beta-alpha barrel | ||||||
Function / homology | Function and homology information NADPH dehydrogenase / : / NADPH dehydrogenase activity / FMN binding / NADP binding Similarity search - Function | ||||||
Biological species | Pseudomonas putida (bacteria) | ||||||
Method | X-RAY DIFFRACTION / FOURIER SYNTHESIS / Resolution: 1.42 Å | ||||||
Authors | Dobbek, H. | ||||||
Citation | Journal: J.Mol.Biol. / Year: 2006 Title: Xenobiotic reductase A in the degradation of quinoline by Pseudomonas putida 86: physiological function, structure and mechanism of 8-hydroxycoumarin reduction. Authors: Griese, J.J. / Jakob, R.P. / Schwarzinger, S. / Dobbek, H. | ||||||
History |
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Remark 999 | SEQUENCE The strain is Pseudomonas putida 86 and not Pseudomonas putida KT2440 as in the aminoacid ...SEQUENCE The strain is Pseudomonas putida 86 and not Pseudomonas putida KT2440 as in the aminoacid sequence database reference |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 2h8z.cif.gz | 97.7 KB | Display | PDBx/mmCIF format |
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PDB format | pdb2h8z.ent.gz | 72.4 KB | Display | PDB format |
PDBx/mmJSON format | 2h8z.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 2h8z_validation.pdf.gz | 819.1 KB | Display | wwPDB validaton report |
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Full document | 2h8z_full_validation.pdf.gz | 826 KB | Display | |
Data in XML | 2h8z_validation.xml.gz | 21.3 KB | Display | |
Data in CIF | 2h8z_validation.cif.gz | 32.8 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/h8/2h8z ftp://data.pdbj.org/pub/pdb/validation_reports/h8/2h8z | HTTPS FTP |
-Related structure data
Related structure data | 2h8xSC 2h90C 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: 39305.258 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Pseudomonas putida (bacteria) / Gene: xenA / Production host: Escherichia coli (E. coli) / References: UniProt: Q88NF7 | ||||||
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#2: Chemical | ChemComp-SO4 / #3: Chemical | ChemComp-FMN / | #4: Chemical | #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: 2.39 Å3/Da / Density % sol: 48.43 % |
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Crystal grow | Temperature: 290 K / Method: vapor diffusion, hanging drop / pH: 7.5 Details: Ammonium sulphate, Hepes, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 290K |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: ROTATING ANODE / Type: ENRAF-NONIUS FR571 / Wavelength: 1.5418 Å |
Detector | Type: MAR scanner 345 mm plate / Detector: IMAGE PLATE / Date: Jun 23, 2005 |
Radiation | Monochromator: Osmic mirrors / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.5418 Å / Relative weight: 1 |
Reflection | Resolution: 1.42→20 Å / Num. all: 71212 / Num. obs: 67580 / % possible obs: 94.9 % / Observed criterion σ(F): 0 / Observed criterion σ(I): 0 |
Reflection shell | Resolution: 1.42→1.5 Å / % possible all: 85.5 |
-Processing
Software |
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Refinement | Method to determine structure: FOURIER SYNTHESIS Starting model: PDB ENTRY 2H8X Resolution: 1.42→20 Å / σ(F): 0 / Stereochemistry target values: Engh & Huber
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Refinement step | Cycle: LAST / Resolution: 1.42→20 Å
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Refine LS restraints |
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Xplor file |
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