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- PDB-6nev: FAD-dependent monooxygenase TropB from T. stipitatus Y239F Variant -
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Open data
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Basic information
Entry | Database: PDB / ID: 6nev | |||||||||
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Title | FAD-dependent monooxygenase TropB from T. stipitatus Y239F Variant | |||||||||
![]() | FAD-dependent monooxygenase tropB | |||||||||
![]() | FLAVOPROTEIN | |||||||||
Function / homology | ![]() Oxidoreductases / secondary metabolite biosynthetic process / monooxygenase activity / FAD binding / membrane Similarity search - Function | |||||||||
Biological species | Talaromyces stipitatus | |||||||||
Method | ![]() ![]() ![]() | |||||||||
![]() | Rodriguez Benitez, A. / Tweedy, S.E. / Baker Dockrey, S.A. / Lukowski, A.L. / Wymore, T. / Khare, D. / Palfey, B.A. / Smith, J.L. / Narayan, A.R.H. | |||||||||
Funding support | ![]()
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![]() | ![]() Title: Structural basis for selectivity in flavin-dependent monooxygenase-catalyzed oxidative dearomatization. Authors: Rodriguez Benitez, A. / Tweedy, S.E. / Baker Dockrey, S.A. / Lukowski, A.L. / Wymore, T. / Khare, D. / Brooks 3rd, C.L. / Palfey, B.A. / Smith, J.L. / Narayan, A.R.H. | |||||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 228.3 KB | Display | ![]() |
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PDB format | ![]() | 146.7 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 937.1 KB | Display | ![]() |
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Full document | ![]() | 951.5 KB | Display | |
Data in XML | ![]() | 33.3 KB | Display | |
Data in CIF | ![]() | 45.3 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 6nesSC ![]() 6netC ![]() 6neuC 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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2 | ![]()
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3 | ![]()
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Unit cell |
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Components
#1: Protein | Mass: 49925.824 Da / Num. of mol.: 2 / Mutation: Y239F Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() Strain: ATCC 10500 / CBS 375.48 / QM 6759 / NRRL 1006 / Gene: tropB, tsL1, TSTA_117740 / Production host: ![]() ![]() #2: Chemical | #3: Chemical | #4: Water | ChemComp-HOH / | |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.79 Å3/Da / Density % sol: 55.88 % |
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Crystal grow | Temperature: 293 K / Method: vapor diffusion, sitting drop / pH: 7.8 / Details: 1.11 M ammonium tartrate dibasic, 6% hexanediol |
-Data collection
Diffraction | Mean temperature: 100 K / Serial crystal experiment: N |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: DECTRIS EIGER X 16M / Detector: PIXEL / Date: Apr 9, 2018 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.033 Å / Relative weight: 1 |
Reflection | Resolution: 2.303→46.13 Å / Num. obs: 47286 / % possible obs: 99.8 % / Redundancy: 6.7 % / Biso Wilson estimate: 52.99 Å2 / CC1/2: 0.999 / Rmerge(I) obs: 0.092 / Net I/σ(I): 1.44 |
Reflection shell | Resolution: 2.303→2.386 Å / Rmerge(I) obs: 1.092 / CC1/2: 0.793 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: 6NES Resolution: 2.303→46.13 Å / SU ML: 0.3514 / Cross valid method: FREE R-VALUE / σ(F): 1.36 / Phase error: 28.1268
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Solvent computation | Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 63.12 Å2 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 2.303→46.13 Å
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Refine LS restraints |
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LS refinement shell |
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