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- PDB-2vqb: Bacterial flavin-containing monooxygenase in complex with NADP: s... -
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Open data
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Basic information
Entry | Database: PDB / ID: 2vqb | ||||||
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Title | Bacterial flavin-containing monooxygenase in complex with NADP: soaking in aerated solution | ||||||
![]() | FLAVIN-CONTAINING MONOOXYGENASE | ||||||
![]() | OXIDOREDUCTASE / NADP / OXYGEN / FLAVIN / DRUG METABOLISM | ||||||
Function / homology | ![]() trimethylamine monooxygenase / N,N-dimethylaniline monooxygenase activity / NADP binding / flavin adenine dinucleotide binding / identical protein binding Similarity search - Function | ||||||
Biological species | ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Alfieri, A. / Malito, E. / Orru, R. / Fraaije, M.W. / Mattevi, A. | ||||||
![]() | ![]() Title: Revealing the Moonlighting Role of Nadp in the Structure of a Flavin-Containing Monooxygenase. Authors: Alfieri, A. / Malito, E. / Orru, R. / Fraaije, M.W. / Mattevi, A. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 372.9 KB | Display | ![]() |
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PDB format | ![]() | 304.9 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 2.6 MB | Display | ![]() |
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Full document | ![]() | 2.6 MB | Display | |
Data in XML | ![]() | 66.7 KB | Display | |
Data in CIF | ![]() | 86.3 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 2vq7SC S: Starting model for refinement C: citing same article ( |
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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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Noncrystallographic symmetry (NCS) | NCS domain:
NCS domain segments: Ens-ID: 1 / Refine code: 1
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Components
-Protein , 1 types, 4 molecules ABCD
#1: Protein | Mass: 53340.754 Da / Num. of mol.: 4 / Mutation: YES Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() |
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-Non-polymers , 5 types, 24 molecules ![](data/chem/img/FAD.gif)
![](data/chem/img/NAP.gif)
![](data/chem/img/CL.gif)
![](data/chem/img/EPE.gif)
![](data/chem/img/OXY.gif)
![](data/chem/img/NAP.gif)
![](data/chem/img/CL.gif)
![](data/chem/img/EPE.gif)
![](data/chem/img/OXY.gif)
#2: Chemical | ChemComp-FAD / #3: Chemical | ChemComp-NAP / #4: Chemical | ChemComp-CL / #5: Chemical | ChemComp-EPE / #6: Chemical | ChemComp-OXY / |
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-Details
Compound details | ENGINEERED RESIDUE IN CHAIN A, GLU 153 TO ALA ENGINEERED RESIDUE IN CHAIN A, GLU 154 TO ALA ...ENGINEERED |
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Nonpolymer details | OXYGEN MOLECULE (OXY): THE ELECTRON DENSITY SHOWS A PEAK THAT HAS BEEN TENTATIVELY ASSIGNED TO A ...OXYGEN MOLECULE (OXY): THE ELECTRON DENSITY SHOWS A PEAK THAT HAS BEEN TENTATIVEL |
-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 4.28 Å3/Da / Density % sol: 60 % / Description: NONE |
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Crystal grow | pH: 7.5 / Details: 20% W/V PEG4000, 100 MM NA-HEPES, 1 MM NADP PH 7.5 |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: ![]() ![]() ![]() |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1 Å / Relative weight: 1 |
Reflection | Resolution: 2.8→30 Å / Num. obs: 86940 / % possible obs: 99.7 % / Observed criterion σ(I): 0 / Redundancy: 3.2 % / Rmerge(I) obs: 0.08 / Net I/σ(I): 13.1 |
Reflection shell | Resolution: 2.8→2.9 Å / Redundancy: 3.1 % / Rmerge(I) obs: 0.43 / Mean I/σ(I) obs: 2.1 / % possible all: 100 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: PDB ENTRY 2VQ7 Resolution: 2.8→29.72 Å / Cor.coef. Fo:Fc: 0.924 / Cor.coef. Fo:Fc free: 0.911 / SU B: 26.134 / SU ML: 0.231 / Cross valid method: THROUGHOUT / ESU R: 0.527 / ESU R Free: 0.294 / 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: 1.4 Å / Solvent model: MASK | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 52.87 Å2
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Refinement step | Cycle: LAST / Resolution: 2.8→29.72 Å
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Refine LS restraints |
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