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- PDB-1oc2: The structure of NADH in the dTDP-D-glucose dehydratase (RmlB) enzyme -
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Open data
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Basic information
Entry | Database: PDB / ID: 1oc2 | ||||||
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Title | The structure of NADH in the dTDP-D-glucose dehydratase (RmlB) enzyme | ||||||
![]() | DTDP-GLUCOSE 4,6-DEHYDRATASE | ||||||
![]() | LYASE / DEHYDRATASE / NADH / RHAMNOSE | ||||||
Function / homology | ![]() dTDP-glucose 4,6-dehydratase / UDP-L-rhamnose synthase activity / UDP-glucose 4,6-dehydratase activity / UDP-rhamnose biosynthetic process / dTDP-glucose 4,6-dehydratase activity / flavonol biosynthetic process / nucleotide binding Similarity search - Function | ||||||
Biological species | ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Beis, K. / Naismith, J.H. | ||||||
![]() | ![]() Title: The Structure of Nadh in the Enzyme Dtdp-D-Glucose Dehydratase (Rmlb) Authors: Beis, K. / Allard, S.T. / Hegeman, A.D. / Murshudov, G. / Philp, D. / Naismith, J.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 | ![]() | 317.8 KB | Display | ![]() |
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PDB format | ![]() | 257.9 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 1.6 MB | Display | ![]() |
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Full document | ![]() | 1.7 MB | Display | |
Data in XML | ![]() | 38 KB | Display | |
Data in CIF | ![]() | 56.3 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 1kepS 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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Unit cell |
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Components
#1: Protein | Mass: 38982.277 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() #2: Chemical | #3: Chemical | #4: Chemical | #5: Water | ChemComp-HOH / | |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 3.5 Å3/Da / Density % sol: 64.7 % | ||||||||||||||||||||||||||||||||||||||||||||||||
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Crystal grow | pH: 5.4 Details: 30% PEG 4K, 0.1M CITRIC ACID, PH5.4, 0.3M AMMONIUM SULPHATE,, pH 5.40 | ||||||||||||||||||||||||||||||||||||||||||||||||
Crystal grow | *PLUS pH: 5.4 / Method: vapor diffusion, sitting dropDetails: used microseeding, Allard, S.T., (2002) Structure, 10, 81. | ||||||||||||||||||||||||||||||||||||||||||||||||
Components of the solutions | *PLUS
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-Data collection
Diffraction | Mean temperature: 120 K |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: ADSC CCD / Detector: CCD / Date: Nov 15, 2001 / Details: MIRRORS |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.93 Å / Relative weight: 1 |
Reflection | Resolution: 1.5→91.28 Å / Num. obs: 179804 / % possible obs: 98.6 % / Redundancy: 3.5 % / Rmerge(I) obs: 0.116 / Net I/σ(I): 4.3 |
Reflection shell | Resolution: 1.1→1.53 Å / Redundancy: 3.1 % / Rmerge(I) obs: 0.66 / Mean I/σ(I) obs: 1.2 / % possible all: 98.6 |
Reflection | *PLUS Highest resolution: 1.5 Å / Lowest resolution: 34.7 Å / Num. obs: 168795 / Num. measured all: 2567266 / Rmerge(I) obs: 0.116 |
Reflection shell | *PLUS Mean I/σ(I) obs: 1.1 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: PDB ENTRY 1KEP Resolution: 1.5→91.29 Å / Cor.coef. Fo:Fc: 0.966 / Cor.coef. Fo:Fc free: 0.953 / SU B: 1.322 / SU ML: 0.046 / Cross valid method: THROUGHOUT / ESU R: 0.07 / ESU R Free: 0.064 / Stereochemistry target values: MAXIMUM LIKELIHOOD Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS. MISSING RESIDUES FROM REFINEMENT MET A 1 SER A 2 MET B 1 LYS B 348
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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: BABINET MODEL WITH MASK | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 15.63 Å2
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Refinement step | Cycle: LAST / Resolution: 1.5→91.29 Å
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Refine LS restraints |
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