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Yorodumi- PDB-3cv8: Crystal structure of vitamin D hydroxylase cytochrome P450 105A1 ... -
+Open data
-Basic information
Entry | Database: PDB / ID: 3cv8 | ||||||
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Title | Crystal structure of vitamin D hydroxylase cytochrome P450 105A1 (R84F mutant) | ||||||
Components | Cytochrome P450-SU1 | ||||||
Keywords | OXIDOREDUCTASE / P450 / BETA PRISM / HEME / IRON / METAL-BINDING / MONOOXYGENASE | ||||||
Function / homology | Function and homology information vitamin D 1,25-hydroxylase / vitamin D3 metabolic process / oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen, NAD(P)H as one donor, and incorporation of one atom of oxygen / cholest-4-en-3-one 26-monooxygenase activity / steroid hydroxylase activity / cholesterol catabolic process / iron ion binding / heme binding / cytoplasm Similarity search - Function | ||||||
Biological species | Streptomyces griseolus (bacteria) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2 Å | ||||||
Authors | Hayashi, K. / Sugimoto, H. / Shinkyo, R. / Yamada, M. / Ikeda, S. / Ikushiro, S. / Kamakura, M. / Shiro, Y. / Sakaki, T. | ||||||
Citation | Journal: Biochemistry / Year: 2008 Title: Structure-based design of a highly active vitamin D hydroxylase from Streptomyces griseolus CYP105A1 Authors: Hayashi, K. / Sugimoto, H. / Shinkyo, R. / Yamada, M. / Ikeda, S. / Ikushiro, S. / Kamakura, M. / Shiro, Y. / Sakaki, T. #1: Journal: Biochemistry / Year: 2008 Title: Crystal Structure of CYP105A1 (P450SU-1) in Complex with 1alpha,25-Dihydroxyvitamin D3 Authors: Sugimoto, H. / Shinkyo, R. / Hayashi, K. / Yoneda, S. / Yamada, M. / Kamakura, M. / Ikushiro, S. / Shiro, Y. / Sakaki, T. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 3cv8.cif.gz | 99.7 KB | Display | PDBx/mmCIF format |
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PDB format | pdb3cv8.ent.gz | 74.4 KB | Display | PDB format |
PDBx/mmJSON format | 3cv8.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 3cv8_validation.pdf.gz | 796.5 KB | Display | wwPDB validaton report |
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Full document | 3cv8_full_validation.pdf.gz | 798.6 KB | Display | |
Data in XML | 3cv8_validation.xml.gz | 19.7 KB | Display | |
Data in CIF | 3cv8_validation.cif.gz | 30 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/cv/3cv8 ftp://data.pdbj.org/pub/pdb/validation_reports/cv/3cv8 | HTTPS FTP |
-Related structure data
Related structure data | 3cv9C 2zbzS 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: 45067.836 Da / Num. of mol.: 1 / Mutation: R84F Source method: isolated from a genetically manipulated source Source: (gene. exp.) Streptomyces griseolus (bacteria) / Strain: ATCC 11796 / Gene: CYP105A1 / Plasmid: PKK223-3 / Production host: Escherichia coli (E. coli) / Strain (production host): JM109 / References: UniProt: P18326, unspecific monooxygenase |
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#2: Chemical | ChemComp-HEM / |
#3: Water | ChemComp-HOH / |
Sequence details | THERE IS A CONFLICT BETWEEN THE SEQUENCES GIVEN IN THE DEPOSITION AND THE DATABASE. ACCORDING TO ...THERE IS A CONFLICT BETWEEN THE SEQUENCES GIVEN IN THE DEPOSITION |
-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION / Number of used crystals: 1 |
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-Sample preparation
Crystal | Density Matthews: 2.16 Å3/Da / Density % sol: 43.07 % |
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Crystal grow | Temperature: 283 K / Method: vapor diffusion, sitting drop / pH: 6.1 Details: 16% PEGMME 2000, 10% MPD, 0.1M Bis-tris, 0.2M sodium chloride, pH 6.1, VAPOR DIFFUSION, SITTING DROP, temperature 283K |
-Data collection
Diffraction | Mean temperature: 90 K |
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Diffraction source | Source: SYNCHROTRON / Site: SPring-8 / Beamline: BL44B2 / Wavelength: 1 Å |
Detector | Type: ADSC QUANTUM 210 / Detector: CCD / Date: Jun 18, 2007 / Details: mirrors |
Radiation | Monochromator: Si (1 1 1) DOUBLE CRYSTAL MONOCHROMATOR / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1 Å / Relative weight: 1 |
Reflection | Resolution: 2→20 Å / Num. obs: 27037 / % possible obs: 99.4 % / Observed criterion σ(I): -3 / Redundancy: 5.3 % / Biso Wilson estimate: 17.7 Å2 / Rmerge(I) obs: 0.073 / Net I/σ(I): 23.1 |
Reflection shell | Resolution: 2→2.07 Å / Redundancy: 5.4 % / Mean I/σ(I) obs: 8.3 / Num. unique all: 2617 / Rsym value: 0.191 / % possible all: 98.2 |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: PDB ENTRY 2ZBZ Resolution: 2→20 Å / Cor.coef. Fo:Fc: 0.946 / Cor.coef. Fo:Fc free: 0.911 / SU B: 3.963 / SU ML: 0.112 / Cross valid method: THROUGHOUT / σ(F): 0 / ESU R: 0.202 / ESU R Free: 0.173 / Stereochemistry target values: MAXIMUM LIKELIHOOD
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Solvent computation | Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å / Solvent model: MASK | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 18.306 Å2
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Refinement step | Cycle: LAST / Resolution: 2→20 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 1.999→2.05 Å / Total num. of bins used: 20
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