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- PDB-3fwi: Ferric camphor bound Cytochrome P450cam containing a selenocystei... -
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Open data
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Basic information
Entry | Database: PDB / ID: 3fwi | ||||||
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Title | Ferric camphor bound Cytochrome P450cam containing a selenocysteine as the 5th heme ligand, tetragonal crystal form | ||||||
![]() | Camphor 5-monooxygenase | ||||||
![]() | OXIDOREDUCTASE / Hemoprotein / cytochrome P450 / selenocysteine / Cytochrome / Heme / Iron / Metal-binding / Monooxygenase | ||||||
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 | ![]() ![]() | ||||||
![]() | Schlichting, I. / von Koenig, K. / Aldag, C. / Hilvert, D. | ||||||
![]() | ![]() Title: Probing the role of the proximal heme ligand in cytochrome P450cam by recombinant incorporation of selenocysteine. Authors: Aldag, C. / Gromov, I.A. / Garcia-Rubio, I. / von Koenig, K. / Schlichting, I. / Jaun, B. / Hilvert, D. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 102.4 KB | Display | ![]() |
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PDB format | ![]() | 75.9 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 787.7 KB | Display | ![]() |
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Full document | ![]() | 793 KB | Display | |
Data in XML | ![]() | 11.1 KB | Display | |
Data in CIF | ![]() | 17.4 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 3fwfC ![]() 3fwgC ![]() 3fwjC ![]() 1yrcS 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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Unit cell |
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Components
#1: Protein | Mass: 45644.793 Da / Num. of mol.: 1 / Mutation: C357U, R365L, E366Q Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() |
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#2: Chemical | ChemComp-HEM / |
#3: Chemical | ChemComp-CAM / |
#4: Chemical | ChemComp-K / |
#5: Water | ChemComp-HOH / |
-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.69 Å3/Da / Density % sol: 54.3 % |
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Crystal grow | Temperature: 277 K / Method: vapor diffusion, sitting drop / pH: 7.4 Details: 24 % PEG 4000, 250 mM KCl, 50 mM Tris HCl, cryoprotection by addition of 20 % glycerol, pH 7.4, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: MARMOSAIC 225 mm CCD / Detector: CCD / Date: Sep 21, 2006 |
Radiation | Monochromator: LN2 cooled fixed-exit Si(111) monochromator / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.98158 Å / Relative weight: 1 |
Reflection | Resolution: 2.4→44.95 Å / Num. obs: 19089 / % possible obs: 97.9 % / Observed criterion σ(F): 0 / Observed criterion σ(I): -3 / Biso Wilson estimate: 34.8 Å2 / Rmerge(I) obs: 0.106 |
Reflection shell | Resolution: 2.4→2.5 Å / Rmerge(I) obs: 0.392 / Mean I/σ(I) obs: 4.07 / Num. unique all: 2294 / % possible all: 99.4 |
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Processing
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Refinement | Method to determine structure: Rigid Body in Refmac starting from pdb entry 1yrc Starting model: pdb entry 1yrc Resolution: 2.4→44.95 Å / Cor.coef. Fo:Fc: 0.939 / Cor.coef. Fo:Fc free: 0.899 / SU B: 7.372 / SU ML: 0.175 / Cross valid method: THROUGHOUT / σ(F): 0 / ESU R: 0.366 / ESU R Free: 0.251 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
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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: 25.957 Å2
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Refinement step | Cycle: LAST / Resolution: 2.4→44.95 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 2.4→2.462 Å / Total num. of bins used: 20
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