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Open data
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Basic information
Entry | Database: PDB / ID: 7q6x | ||||||
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Title | OleP mutant S240Y in complex with 6DEB | ||||||
![]() | Cytochrome P-450 | ||||||
![]() | OXIDOREDUCTASE / Cytochrome P450 / Oleandomicine / OleP / mutant / 6DEB | ||||||
Function / homology | ![]() cholest-4-en-3-one 26-monooxygenase activity / steroid hydroxylase activity / cholesterol catabolic process / iron ion binding / heme binding Similarity search - Function | ||||||
Biological species | ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Savino, C. / Montemiglio, L.C. / Vallone, B. / Exertier, C. / Freda, I. / Gugole, E. | ||||||
Funding support | 1items
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![]() | ![]() Title: Point Mutations at a Key Site Alter the Cytochrome P450 OleP Structural Dynamics. Authors: Montemiglio, L.C. / Gugole, E. / Freda, I. / Exertier, C. / D'Auria, L. / Chen, C.G. / Nardi, A.N. / Cerutti, G. / Parisi, G. / D'Abramo, M. / Savino, C. / Vallone, 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 | ![]() | 504.3 KB | Display | ![]() |
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PDB format | ![]() | 421.8 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Arichive directory | ![]() ![]() | HTTPS FTP |
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-Related structure data
Related structure data | ![]() 7q6rC ![]() 7q89C ![]() 5mnsS 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: 44882.938 Da / Num. of mol.: 6 / Mutation: S240Y Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() #2: Chemical | ChemComp-HEM / #3: Chemical | ChemComp-DEB / #4: Chemical | ChemComp-FMT / #5: Water | ChemComp-HOH / | Has ligand of interest | N | |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 3.13 Å3/Da / Density % sol: 60.64 % |
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Crystal grow | Temperature: 294 K / Method: vapor diffusion, hanging drop / Details: Sodium Formate, 4.4 M |
-Data collection
Diffraction | Mean temperature: 100 K / Serial crystal experiment: N |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: DECTRIS PILATUS 6M / Detector: PIXEL / Date: May 12, 2020 |
Radiation | Monochromator: Double Crystal Si111 with LN2 closed loop cooling Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1 Å / Relative weight: 1 |
Reflection | Resolution: 2.5→51.34 Å / Num. obs: 225386 / % possible obs: 99.2 % / Redundancy: 4 % / CC1/2: 0.992 / Net I/σ(I): 5.59 |
Reflection shell | Resolution: 2.5→2.65 Å / Num. unique obs: 36239 / CC1/2: 0.1 / % possible all: 99.1 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: 5mns Resolution: 2.7→51.34 Å / Cor.coef. Fo:Fc: 0.954 / Cor.coef. Fo:Fc free: 0.923 / SU B: 19.676 / SU ML: 0.367 / Cross valid method: THROUGHOUT / ESU R: 1.233 / ESU R Free: 0.359 / 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: 65.582 Å2
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Refinement step | Cycle: 1 / Resolution: 2.7→51.34 Å
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Refine LS restraints |
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