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Open data
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Basic information
Entry | Database: PDB / ID: 6wgw | ||||||
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Title | CYP101D1 D259E Hydroxycamphor bound | ||||||
![]() | Cytochrome P450 101D1 | ||||||
![]() | OXIDOREDUCTASE / P450cam / D251E / camphor / PdX / PdR | ||||||
Function / homology | ![]() oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen / monooxygenase activity / iron ion binding / heme binding / membrane Similarity search - Function | ||||||
Biological species | ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Amaya, J.A. / Poulos, T.L. / Batabyal, D. | ||||||
Funding support | ![]()
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![]() | ![]() Title: Proton Relay Network in the Bacterial P450s: CYP101A1 and CYP101D1. Authors: Amaya, J.A. / Batabyal, D. / Poulos, T.L. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 261.1 KB | Display | ![]() |
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PDB format | ![]() | 175.9 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 2.3 MB | Display | ![]() |
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Full document | ![]() | 2.3 MB | Display | |
Data in XML | ![]() | 40.8 KB | Display | |
Data in CIF | ![]() | 62.1 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 6we6C ![]() 6wflC ![]() 4c9kS C: citing same article ( S: Starting model for refinement |
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Similar structure data |
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Links
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Assembly
Deposited unit | ![]()
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2 | ![]()
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Unit cell |
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Components on special symmetry positions |
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Components
-Protein , 1 types, 2 molecules AB
#1: Protein | Mass: 49108.867 Da / Num. of mol.: 2 / Mutation: D259E Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() Gene: Saro_0514 / Production host: ![]() ![]() |
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-Non-polymers , 5 types, 911 molecules ![](data/chem/img/HEM.gif)
![](data/chem/img/CAH.gif)
![](data/chem/img/SO4.gif)
![](data/chem/img/CAM.gif)
![](data/chem/img/HOH.gif)
![](data/chem/img/CAH.gif)
![](data/chem/img/SO4.gif)
![](data/chem/img/CAM.gif)
![](data/chem/img/HOH.gif)
#2: Chemical | #3: Chemical | #4: Chemical | ChemComp-SO4 / #5: Chemical | ChemComp-CAM / | #6: Water | ChemComp-HOH / | |
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-Details
Has ligand of interest | Y |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 3.35 Å3/Da / Density % sol: 63.32 % |
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Crystal grow | Temperature: 298 K / Method: vapor diffusion, hanging drop / pH: 8.2 / Details: 1.6 M ammonium sulfate; 0.1 M Tris |
-Data collection
Diffraction | Mean temperature: 80 K / Serial crystal experiment: N |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: DECTRIS PILATUS3 S 6M / Detector: PIXEL / Date: Nov 8, 2018 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1 Å / Relative weight: 1 |
Reflection | Resolution: 1.73→48.36 Å / Num. obs: 278914 / % possible obs: 99.99 % / Redundancy: 2 % / Biso Wilson estimate: 26.6 Å2 / CC1/2: 0.999 / Net I/σ(I): 19.46 |
Reflection shell | Resolution: 1.73→1.792 Å / Num. unique obs: 13748 / CC1/2: 0.453 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: 4C9K Resolution: 1.73→48.36 Å / SU ML: 0.2677 / Cross valid method: FREE R-VALUE / σ(F): 1.34 / Phase error: 21.6595
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Solvent computation | Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 30.38 Å2 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 1.73→48.36 Å
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Refine LS restraints |
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LS refinement shell |
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