+Open data
-Basic information
Entry | Database: PDB / ID: 1bu7 | ||||||
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Title | CRYOGENIC STRUCTURE OF CYTOCHROME P450BM-3 HEME DOMAIN | ||||||
Components | PROTEIN (CYTOCHROME P450) | ||||||
Keywords | OXIDOREDUCTASE / FATTY ACID MONOOXYGENASE / HEMOPROTEIN / P450 | ||||||
Function / homology | Function and homology information NADPH-hemoprotein reductase / NADPH-hemoprotein reductase activity / oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen, reduced flavin or flavoprotein as one donor, and incorporation of one atom of oxygen / unspecific monooxygenase / aromatase activity / metabolic process / FMN binding / iron ion binding / heme binding / identical protein binding / cytoplasm Similarity search - Function | ||||||
Biological species | Bacillus megaterium (bacteria) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / OTHER / Resolution: 1.65 Å | ||||||
Authors | Li, H. / Poulos, T.L. | ||||||
Citation | Journal: Proc.Natl.Acad.Sci.USA / Year: 1999 Title: Structure of a cytochrome P450-redox partner electron-transfer complex. Authors: Sevrioukova, I.F. / Li, H. / Zhang, H. / Peterson, J.A. / Poulos, T.L. #1: Journal: Acta Crystallogr.,Sect.D / Year: 1995 Title: Modeling Protein-Substrate Interactions in the Heme Domain of P450Bm-3 Authors: Li, H. / Poulos, T.L. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 1bu7.cif.gz | 219.3 KB | Display | PDBx/mmCIF format |
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PDB format | pdb1bu7.ent.gz | 174.5 KB | Display | PDB format |
PDBx/mmJSON format | 1bu7.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/bu/1bu7 ftp://data.pdbj.org/pub/pdb/validation_reports/bu/1bu7 | HTTPS FTP |
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-Related structure data
-Links
-Assembly
Deposited unit |
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1 |
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2 |
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Unit cell |
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Noncrystallographic symmetry (NCS) | NCS oper: (Code: given Matrix: (-0.994274, 0.024948, -0.103912), Vector: |
-Components
#1: Protein | Mass: 52169.461 Da / Num. of mol.: 2 / Fragment: HEME DOMAIN Source method: isolated from a genetically manipulated source Source: (gene. exp.) Bacillus megaterium (bacteria) / Description: SYNTHETIC GENE / Cell line (production host): BL21(DE3) / Production host: Escherichia coli (E. coli) / References: UniProt: P14779, unspecific monooxygenase #2: Chemical | #3: Chemical | ChemComp-EDO / #4: Water | ChemComp-HOH / | |
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-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION / Number of used crystals: 1 |
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-Sample preparation
Crystal | Density Matthews: 2.5 Å3/Da / Density % sol: 50 % |
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Crystal grow | pH: 7 / Details: pH 7.0 |
Crystal grow | *PLUS Method: unknownDetails: unpublished data. Journal is different from PDB file. |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: SYNCHROTRON / Site: SSRL / Beamline: BL7-1 / Wavelength: 1.08 |
Detector | Type: MARRESEARCH / Detector: IMAGE PLATE / Date: Mar 15, 1997 / Details: YES |
Radiation | Monochromator: YES / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.08 Å / Relative weight: 1 |
Reflection | Resolution: 1.65→100 Å / Num. obs: 128585 / % possible obs: 98 % / Redundancy: 3.4 % / Rsym value: 3.8 / Net I/σ(I): 20.6 |
Reflection shell | Resolution: 1.65→1.69 Å / Redundancy: 3 % / Mean I/σ(I) obs: 5.5 / Rsym value: 22 / % possible all: 97.2 |
-Processing
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Refinement | Method to determine structure: OTHER / Resolution: 1.65→10 Å / Cross valid method: FREE-R / σ(F): 0 / Stereochemistry target values: ENGH AND HUBER
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Refinement step | Cycle: LAST / Resolution: 1.65→10 Å
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Refine LS restraints |
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