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Open data
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Basic information
Entry | Database: PDB / ID: 6c71 | ||||||
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Title | Nicotine Oxidoreductase in Complex with S-nicotine | ||||||
![]() | Amine oxidase![]() | ||||||
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Function / homology | ![]() ![]() ![]() ![]() ![]() Similarity search - Function | ||||||
Biological species | ![]() ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Tararina, M.A. / Allen, K.N. | ||||||
![]() | ![]() Title: Crystallography Coupled with Kinetic Analysis Provides Mechanistic Underpinnings of a Nicotine-Degrading Enzyme. Authors: Tararina, M.A. / Xue, S. / Smith, L.C. / Muellers, S.N. / Miranda, P.O. / Janda, K.D. / Allen, K.N. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 352.9 KB | Display | ![]() |
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PDB format | ![]() | 285.5 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Arichive directory | ![]() ![]() | HTTPS FTP |
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-Related structure data
Related structure data | ![]() 5ttkS 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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2 | ![]()
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Unit cell |
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Components
#1: Protein | ![]() Mass: 53665.395 Da / Num. of mol.: 4 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() Strain: S16 / Gene: PPS_4081 / Production host: ![]() ![]() ![]() #2: Chemical | ChemComp-NCT / ( ![]() #3: Chemical | ChemComp-FAD / ![]() #4: Water | ChemComp-HOH / | ![]() |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.29 Å3/Da / Density % sol: 46.28 % |
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Crystal grow![]() | Temperature: 290 K / Method: vapor diffusion, hanging drop / pH: 9 Details: 0.3 M sodium chloride, 0.1 M Bis-Tris propane pH 9.0, 15% w/v PEG 10,000 |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: DECTRIS PILATUS 6M / Detector: PIXEL / Date: Jul 16, 2016 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength![]() |
Reflection | Resolution: 2.649→44.98 Å / Num. obs: 57278 / % possible obs: 98.6 % / Redundancy: 3.2 % / CC1/2: 0.99 / Rmerge(I) obs: 0.134 / Net I/σ(I): 6.17 |
Reflection shell | Resolution: 2.649→2.744 Å / Rmerge(I) obs: 0.717 / Num. unique obs: 5054 / CC1/2: 0.11 / % possible all: 71.1 |
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Processing
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Refinement | Method to determine structure![]() ![]() Starting model: 5TTK Resolution: 2.649→37.755 Å / SU ML: 0.28 / Cross valid method: FREE R-VALUE / σ(F): 0 / Phase error: 23.7
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Solvent computation | Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 2.649→37.755 Å
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Refine LS restraints |
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LS refinement shell |
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