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- PDB-7v50: Structure of cyclohexanone monooxygenase mutant from Acinetobacte... -
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Open data
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Basic information
Entry | Database: PDB / ID: 7v50 | |||||||||
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Title | Structure of cyclohexanone monooxygenase mutant from Acinetobacter calcoaceticus | |||||||||
![]() | Putative flavin-binding monooxygenase | |||||||||
![]() | OXIDOREDUCTASE / BVMO_positive mutant | |||||||||
Function / homology | ![]() N,N-dimethylaniline monooxygenase activity / NADP binding / flavin adenine dinucleotide binding Similarity search - Function | |||||||||
Biological species | ![]() | |||||||||
Method | ![]() ![]() ![]() | |||||||||
![]() | Wu, Y. / Yu, H. | |||||||||
Funding support | 1items
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![]() | ![]() Title: Precise regulation of the substrate selectivity of Baeyer-Villiger monooxygenase to minimize overoxidation of prazole sulfoxides. Authors: Wu, Y. / Chen, Q.Q. / Chen, Q. / Geng, Q. / Zhang, Q. / Zheng, Y.C. / Zhao, C. / Zhang, Y. / Zhou, J. / Wang, B. / Xu, J.H. / Yu, H.L. | |||||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 129.8 KB | Display | ![]() |
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PDB format | ![]() | 94.9 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Arichive directory | ![]() ![]() | HTTPS FTP |
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-Related structure data
Related structure data | ![]() 7v4xC ![]() 7v51C ![]() 6a37S 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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1 |
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Unit cell |
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Components
#1: Protein | Mass: 63330.574 Da / Num. of mol.: 1 Mutation: F246Y,F277L,K326C,N386S,I388K,M390I,L426F,F432L,T433A,L435S,S438I,E488K,S489C,W490R,F505L Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() Production host: ![]() ![]() References: UniProt: A0A0A8XFY0 |
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#2: Chemical | ChemComp-FAD / |
#3: Chemical | ChemComp-NAP / |
#4: Water | ChemComp-HOH / |
Has ligand of interest | N |
-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.36 Å3/Da / Density % sol: 47.93 % |
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Crystal grow | Temperature: 289 K / Method: vapor diffusion, sitting drop Details: bicine/Trizma base, PEG20000, PEG MME 550, 1,6-Hexanediol, 1-Butanal, 1,2-Propanediol, 1,4-Butanediol, 1,3-Propanediol |
-Data collection
Diffraction | Mean temperature: 80 K / Serial crystal experiment: N |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: ADSC QUANTUM 315r / Detector: CCD / Date: Oct 1, 2018 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.987 Å / Relative weight: 1 |
Reflection | Resolution: 2.07→50 Å / Num. obs: 34734 / % possible obs: 99.9 % / Redundancy: 6.1 % / Rmerge(I) obs: 0.07 / Net I/σ(I): 33.75 |
Reflection shell | Resolution: 2.08→2.12 Å / Rmerge(I) obs: 0.07 / Num. unique obs: 34734 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: 6A37 Resolution: 2.3→38.87 Å / SU ML: 0.32 / Cross valid method: FREE R-VALUE / σ(F): 1.36 / Phase error: 26.7 / 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: 2.3→38.87 Å
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Refine LS restraints |
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LS refinement shell |
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