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- PDB-8hot: Crystal structure of the P450 BM3 heme domain mutant F87A in comp... -
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Open data
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Basic information
Entry | Database: PDB / ID: 8hot | |||||||||
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Title | Crystal structure of the P450 BM3 heme domain mutant F87A in complex with NH2-C7-Phe-Phe | |||||||||
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Function / homology | ![]() ![]() ![]() ![]() ![]() ![]() Similarity search - Function | |||||||||
Biological species | ![]() synthetic construct (others) | |||||||||
Method | ![]() ![]() ![]() | |||||||||
![]() | Jiang, Y. / Dong, S. / Feng, Y. / Cong, Z. | |||||||||
Funding support | ![]()
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![]() | ![]() Title: Crystal structure of the P450 BM3 heme domain mutant F87A in complex with NH2-C7-Phe-Phe Authors: Jiang, Y. / Dong, S. / Feng, Y. / 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 | ![]() | 214.2 KB | Display | ![]() |
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PDB format | ![]() | 166.5 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Arichive directory | ![]() ![]() | HTTPS FTP |
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-Related structure data
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: 53352.758 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() ![]() References: UniProt: A0A1Q8UP87, ![]() ![]() #2: Protein/peptide | Mass: 439.548 Da / Num. of mol.: 2 / Source method: obtained synthetically / Source: (synth.) synthetic construct (others) #3: Chemical | ![]() #4: Water | ChemComp-HOH / | ![]() Has ligand of interest | Y | |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.51 Å3/Da / Density % sol: 51 % |
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Crystal grow![]() | Temperature: 291 K / Method: vapor diffusion, hanging drop / Details: 0.38M MgCl2, 0.1M Tris 8.5, 12-18% PEG3350 |
-Data collection
Diffraction | Mean temperature: 100 K / Serial crystal experiment: N |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: DECTRIS PILATUS3 S 6M / Detector: PIXEL / Date: Nov 27, 2022 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength![]() |
Reflection | Resolution: 1.96→73.22 Å / Num. obs: 74972 / % possible obs: 98.4 % / Redundancy: 3.2 % / CC1/2: 0.998 / Rmerge(I) obs: 0.051 / Rpim(I) all: 0.034 / Rrim(I) all: 0.061 / Χ2: 0.9 / Net I/σ(I): 14.2 / Num. measured all: 243456 |
Reflection shell | Resolution: 1.96→2.06 Å / % possible obs: 99.6 % / Redundancy: 3.3 % / Rmerge(I) obs: 0.248 / Num. measured all: 36341 / Num. unique obs: 11047 / CC1/2: 0.944 / Rpim(I) all: 0.162 / Rrim(I) all: 0.297 / Χ2: 0.72 / Net I/σ(I) obs: 4.7 |
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Processing
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Refinement | Method to determine structure![]() ![]()
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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: 1.96→29.28 Å
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Refine LS restraints |
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LS refinement shell |
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