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Open data
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Basic information
Entry | Database: PDB / ID: 4aos | ||||||
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Title | Oxidized steroid monooxygenase bound to NADP | ||||||
![]() | STEROID MONOOXYGENASE | ||||||
![]() | OXIDOREDUCTASE / BAEYER-VILLIGER / FLAVIN | ||||||
Function / homology | ![]() N,N-dimethylaniline monooxygenase activity / NADP binding / flavin adenine dinucleotide binding Similarity search - Function | ||||||
Biological species | ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Franceschini, S. / van Beek, H.L. / Martinoli, C. / Fraaije, M.W. / Mattevi, A. | ||||||
![]() | ![]() Title: Exploring the Structural Basis of Substrate Preferences in Baeyer-Villiger Monooxygenases: Insight from Steroid Monooxygenase. Authors: Franceschini, S. / Van Beek, H.L. / Pennetta, A. / Martinoli, C. / 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 | ![]() | 222.7 KB | Display | ![]() |
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PDB format | ![]() | 177.1 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 973.3 KB | Display | ![]() |
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Full document | ![]() | 980 KB | Display | |
Data in XML | ![]() | 23 KB | Display | |
Data in CIF | ![]() | 32.6 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 4aoxC ![]() 4ap1C ![]() 4ap3C ![]() 1w4xS 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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1 |
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Unit cell |
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Components
#1: Protein | Mass: 60200.828 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() | ||
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#2: Chemical | ChemComp-FAD / | ||
#3: Chemical | ChemComp-NAP / | ||
#4: Chemical | ChemComp-SO4 / #5: Water | ChemComp-HOH / | |
-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 3.25 Å3/Da / Density % sol: 62.2 % / Description: NONE |
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Crystal grow | pH: 6.2 / Details: 1.9M MGSO4 0.1M MES PH 6.2 |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: DECTRIS PILATUS 6M / Detector: PIXEL / Date: Jul 16, 2010 / Details: MIRRORS |
Radiation | Monochromator: SI(111) / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1 Å / Relative weight: 1 |
Reflection | Resolution: 2.5→20.39 Å / Num. obs: 26952 / % possible obs: 99.5 % / Observed criterion σ(I): 2 / Redundancy: 12.6 % / Rmerge(I) obs: 0.07 / Net I/σ(I): 25.1 |
Reflection shell | Resolution: 2.5→2.64 Å / Redundancy: 13.4 % / Rmerge(I) obs: 0.15 / Mean I/σ(I) obs: 14.3 / % possible all: 99.6 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: PDB ENTRY 1W4X Resolution: 2.5→20.31 Å / Cor.coef. Fo:Fc: 0.938 / Cor.coef. Fo:Fc free: 0.913 / SU B: 10.335 / SU ML: 0.13 / Cross valid method: THROUGHOUT / ESU R: 0.363 / ESU R Free: 0.247 / Stereochemistry target values: MAXIMUM LIKELIHOOD Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS. RESIDUES 1-19 AND 511-516 ARE DISORDERED.
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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: 45.771 Å2
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Refinement step | Cycle: LAST / Resolution: 2.5→20.31 Å
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Refine LS restraints |
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