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Yorodumi- PDB-1p7r: CRYSTAL STRUCTURE OF REDUCED, CO-EXPOSED COMPLEX OF CYTOCHROME P4... -
+Open data
-Basic information
Entry | Database: PDB / ID: 1p7r | ||||||
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Title | CRYSTAL STRUCTURE OF REDUCED, CO-EXPOSED COMPLEX OF CYTOCHROME P450CAM WITH (S)-(-)-NICOTINE | ||||||
Components | Cytochrome P450-cam | ||||||
Keywords | OXIDOREDUCTASE / Monooxygenase / Heme / Nicotine | ||||||
Function / homology | Function and homology information camphor 5-monooxygenase / camphor 5-monooxygenase activity / (+)-camphor catabolic process / 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 | Pseudomonas putida (bacteria) | ||||||
Method | X-RAY DIFFRACTION / MOLECULAR REPLACEMENT / Resolution: 2.85 Å | ||||||
Authors | Strickler, M. / Goldstein, B.M. / Maxfield, K. / Shireman, L. / Kim, G. / Matteson, D. / Jones, J.P. | ||||||
Citation | Journal: Biochemistry / Year: 2003 Title: Crystallographic Studies on the Complex Behavior of Nicotine Binding to P450cam (CYP101)(dagger). Authors: Strickler, M. / Goldstein, B.M. / Maxfield, K. / Shireman, L. / Kim, G. / Matteson, D. / Jones, J.P. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 1p7r.cif.gz | 94.6 KB | Display | PDBx/mmCIF format |
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PDB format | pdb1p7r.ent.gz | 71.7 KB | Display | PDB format |
PDBx/mmJSON format | 1p7r.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 1p7r_validation.pdf.gz | 803.5 KB | Display | wwPDB validaton report |
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Full document | 1p7r_full_validation.pdf.gz | 811.7 KB | Display | |
Data in XML | 1p7r_validation.xml.gz | 17.4 KB | Display | |
Data in CIF | 1p7r_validation.cif.gz | 23.3 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/p7/1p7r ftp://data.pdbj.org/pub/pdb/validation_reports/p7/1p7r | 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: 47417.750 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Pseudomonas putida (bacteria) / Gene: CAMC OR CYP101 / Plasmid: pBLUESCRIPT / Production host: Escherichia coli (E. coli) / Strain (production host): DH5ALPHA / References: UniProt: P00183, camphor 5-monooxygenase |
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#2: Chemical | ChemComp-HEM / |
#3: Chemical | ChemComp-NCT / ( |
#4: Water | ChemComp-HOH / |
-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION |
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-Sample preparation
Crystal | Density Matthews: 2.7 Å3/Da / Density % sol: 54.16 % | |||||||||||||||
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Crystal grow | Temperature: 277 K / Method: vapor diffusion, sitting drop / pH: 7 Details: PEG 8000, potassium phosphate, potassium chloride, dithiothreitol, nicotine, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 277K | |||||||||||||||
Crystal grow | *PLUS Temperature: 4 ℃ / Method: vapor diffusion, sitting drop | |||||||||||||||
Components of the solutions | *PLUS
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-Data collection
Diffraction | Mean temperature: 103 K |
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Diffraction source | Source: ROTATING ANODE / Type: RIGAKU RU200 / Wavelength: 1.5418 Å |
Detector | Type: RIGAKU RAXIS II / Detector: IMAGE PLATE / Date: Jun 20, 1997 / Details: MIRRORS |
Radiation | Monochromator: YALE MIRRORS / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.5418 Å / Relative weight: 1 |
Reflection | Resolution: 2.85→28.38 Å / Num. all: 12846 / Num. obs: 10395 / % possible obs: 80.9 % / Observed criterion σ(I): -3 / Redundancy: 12.9 % / Rsym value: 0.075 / Net I/σ(I): 12.4 |
Reflection shell | Resolution: 2.85→2.87 Å / Mean I/σ(I) obs: 2 / Num. unique all: 230 / Rsym value: 0.392 / % possible all: 70.1 |
Reflection | *PLUS Rmerge(I) obs: 0.075 |
Reflection shell | *PLUS Redundancy: 0.392 % / Rmerge(I) obs: 70.1 |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT / Resolution: 2.85→28.38 Å / Rfactor Rfree error: 0.009 / Data cutoff high absF: 201929.59 / Data cutoff low absF: 0 / Isotropic thermal model: RESTRAINED / Cross valid method: THROUGHOUT / σ(F): 0 / σ(I): 201929.59 / Stereochemistry target values: Engh & Huber / Details: BULK SOLVENT MODEL USED
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Solvent computation | Solvent model: FLAT MODEL / Bsol: 10 Å2 / ksol: 0.283511 e/Å3 | ||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 34.1 Å2
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Refine analyze |
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Refinement step | Cycle: LAST / Resolution: 2.85→28.38 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 2.85→3.03 Å / Rfactor Rfree error: 0.034 / Total num. of bins used: 6
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Xplor file |
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Refinement | *PLUS Num. reflection obs: 10025 | ||||||||||||||||||||||||||||||||||||
Solvent computation | *PLUS | ||||||||||||||||||||||||||||||||||||
Displacement parameters | *PLUS | ||||||||||||||||||||||||||||||||||||
Refine LS restraints | *PLUS
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