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Open data
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Basic information
Entry | Database: PDB / ID: 4ek1 | ||||||
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Title | Crystal Structure of Electron-Spin Labeled Cytochrome P450cam | ||||||
![]() | Camphor 5-monooxygenase | ||||||
![]() | OXIDOREDUCTASE / electron spin / MTSL / double electron electron resonance / camphor / Cytochrome P450 fold / Monooxidase / Putidaredoxin | ||||||
Function / homology | ![]() 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 | ![]() | ||||||
Method | ![]() ![]() ![]() ![]() | ||||||
![]() | Lee, Y.-T. / Goodin, D.B. | ||||||
![]() | ![]() Title: Double electron-electron resonance shows cytochrome P450cam undergoes a conformational change in solution upon binding substrate. Authors: Stoll, S. / Lee, Y.T. / Zhang, M. / Wilson, R.F. / Britt, R.D. / Goodin, D.B. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 176.8 KB | Display | ![]() |
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PDB format | ![]() | 147 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 1.9 MB | Display | ![]() |
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Full document | ![]() | 1.9 MB | Display | |
Data in XML | ![]() | 34.6 KB | Display | |
Data in CIF | ![]() | 50.1 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Similar structure data |
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Links
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Assembly
Deposited unit | ![]()
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1 | ![]()
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2 | ![]()
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Unit cell |
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Components
-Protein , 1 types, 2 molecules AB
#1: Protein | Mass: 46524.688 Da / Num. of mol.: 2 / Mutation: S48C,C58S,C85S,C136S,S190C,C285S,C334A Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() |
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-Non-polymers , 5 types, 422 molecules ![](data/chem/img/HEM.gif)
![](data/chem/img/CAM.gif)
![](data/chem/img/K.gif)
![](data/chem/img/MTN.gif)
![](data/chem/img/HOH.gif)
![](data/chem/img/CAM.gif)
![](data/chem/img/K.gif)
![](data/chem/img/MTN.gif)
![](data/chem/img/HOH.gif)
#2: Chemical | #3: Chemical | #4: Chemical | #5: Chemical | #6: Water | ChemComp-HOH / | |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.13 Å3/Da / Density % sol: 42.21 % |
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Crystal grow | Temperature: 279 K / Method: sitting-drop vapor diffusion / pH: 7.4 Details: 12% PEG 8000, 0.1M Tris, pH 7.4, 0.2M KCl, 1mM camphor, sitting-drop vapor diffusion, temperature 279K |
-Data collection
Diffraction | Mean temperature: 100 K | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
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Diffraction source | Source: ![]() ![]() ![]() | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Detector | Type: ADSC QUANTUM 315r / Detector: CCD / Date: Mar 23, 2012 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Radiation | Monochromator: SIDE SCATTERING I-BEAM BENT SINGLE CRYSTAL / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Radiation wavelength | Wavelength: 1.12709 Å / Relative weight: 1 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Reflection | Resolution: 1.97→47.303 Å / Num. all: 55395 / Num. obs: 54475 / % possible obs: 98.4 % / Observed criterion σ(F): 2 / Observed criterion σ(I): 2 / Redundancy: 3.2 % / Biso Wilson estimate: 20.33 Å2 / Rmerge(I) obs: 0.101 / Rsym value: 0.101 / Net I/σ(I): 7.7 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Reflection shell | Diffraction-ID: 1
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-Phasing
Phasing | Method: ![]() | |||||||||
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Phasing MR |
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Processing
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Refinement | Method to determine structure: ![]() Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS U VALUES: REFINED INDIVIDUALLY
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Solvent computation | Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.4 Å / Solvent model: MASK | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso max: 46.06 Å2 / Biso mean: 20.3927 Å2 / Biso min: 8.97 Å2
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Refinement step | Cycle: LAST / Resolution: 1.97→10 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 1.97→2.015 Å / Total num. of bins used: 20
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