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- PDB-8hgt: Crystal structure of the CYP153A mutant V456A from Marinobacter a... -
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Open data
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Basic information
Entry | Database: PDB / ID: 8hgt | ||||||
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Title | Crystal structure of the CYP153A mutant V456A from Marinobacter aquaeolei | ||||||
![]() | Cytochrome P450 | ||||||
![]() | OXIDOREDUCTASE / CYP153A | ||||||
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 | ![]() ![]() ![]() | ||||||
![]() | Jiang, Y. / Tian, X. / Cong, Z. | ||||||
Funding support | ![]()
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![]() | ![]() Title: Enabling Peroxygenase Activity in Cytochrome P450 Monooxygenases by Engineering Hydrogen Peroxide Tunnels. Authors: Zhao, P. / Kong, F. / Jiang, Y. / Qin, X. / Tian, X. / Cong, Z. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 108.6 KB | Display | ![]() |
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PDB format | ![]() | 77.9 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Arichive directory | ![]() ![]() | HTTPS FTP |
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-Related structure data
Related structure data | ![]() 8hgcC ![]() 5fygS S: Starting model for refinement C: citing same article ( |
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Similar structure data | Similarity search - Function & homology ![]() |
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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: 55250.988 Da / Num. of mol.: 1 / Mutation: V456A Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() |
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#2: Chemical | ChemComp-HEM / |
#3: Water | ChemComp-HOH / |
Has ligand of interest | Y |
-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2 Å3/Da / Density % sol: 38.38 % |
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Crystal grow | Temperature: 291 K / Method: vapor diffusion, hanging drop / pH: 7 / Details: 0.2M Li2SO4, 0.1M HEPES 7.0, 26% PEG3350 |
-Data collection
Diffraction | Mean temperature: 100 K / Serial crystal experiment: N |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: DECTRIS PILATUS3 6M / Detector: PIXEL / Date: Oct 14, 2022 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.979 Å / Relative weight: 1 |
Reflection | Resolution: 1.78→50 Å / Num. obs: 25202 / % possible obs: 96.6 % / Redundancy: 3 % / CC1/2: 0.994 / Rmerge(I) obs: 0.091 / Rpim(I) all: 0.064 / Rrim(I) all: 0.112 / Χ2: 0.802 / Net I/σ(I): 10.9 |
Reflection shell | Resolution: 1.78→1.81 Å / Redundancy: 3.1 % / Rmerge(I) obs: 0.428 / Num. unique obs: 2064 / CC1/2: 0.868 / Rpim(I) all: 0.283 / Rrim(I) all: 0.515 / Χ2: 0.447 / % possible all: 99.4 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: 5FYG Resolution: 2.06→31.38 Å / SU ML: 0.22 / Cross valid method: THROUGHOUT / σ(F): 1.41 / Phase error: 23.97 / Stereochemistry target values: ML
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Solvent computation | Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 2.06→31.38 Å
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Refine LS restraints |
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LS refinement shell |
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