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- PDB-6xex: Structure of Serratia marcescens 2,3-butanediol dehydrogenase mut... -
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Open data
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Basic information
Entry | Database: PDB / ID: 6xex | ||||||
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Title | Structure of Serratia marcescens 2,3-butanediol dehydrogenase mutant Q247A/V139Q | ||||||
![]() | 2,3-butanediol dehydrogenase | ||||||
![]() | OXIDOREDUCTASE / BDH | ||||||
Function / homology | Oxidoreductases; Acting on the CH-OH group of donors; With NAD+ or NADP+ as acceptor / Short-chain dehydrogenase/reductase, conserved site / Short-chain dehydrogenases/reductases family signature. / Enoyl-(Acyl carrier protein) reductase / Short-chain dehydrogenase/reductase SDR / oxidoreductase activity / NAD(P)-binding domain superfamily / NICOTINAMIDE-ADENINE-DINUCLEOTIDE / Meso-2,3-butanediol dehydrogenase![]() | ||||||
Biological species | ![]() | ||||||
Method | ![]() ![]() | ||||||
![]() | Alahuhta, P.M. / Lunin, V.V. | ||||||
Funding support | ![]()
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![]() | ![]() Title: Phylogenetics-based identification and characterization of a superior 2,3-butanediol dehydrogenase for Zymomonas mobilis expression. Authors: Subramanian, V. / Lunin, V.V. / Farmer, S.J. / Alahuhta, M. / Moore, K.T. / Ho, A. / Chaudhari, Y.B. / Zhang, M. / Himmel, M.E. / Decker, S.R. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 126.8 KB | Display | ![]() |
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PDB format | ![]() | 92.9 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 794.7 KB | Display | ![]() |
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Full document | ![]() | 797.1 KB | Display | |
Data in XML | ![]() | 26.3 KB | Display | |
Data in CIF | ![]() | 39.8 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 6vspC ![]() 6xewC ![]() 4ni5S 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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1 | ![]()
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Unit cell |
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Components
#1: Protein | Mass: 27911.709 Da / Num. of mol.: 2 / Mutation: Q247A/V139Q Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() #2: Chemical | ChemComp-NAD / | #3: Chemical | #4: Chemical | ChemComp-EDO / #5: Water | ChemComp-HOH / | Has ligand of interest | N | |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.34 Å3/Da / Density % sol: 44.16 % |
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Crystal grow | Temperature: 293 K / Method: vapor diffusion, sitting drop / Details: 0.1 M sodium malonate, pH 6-7, 6-15% w/v PEG3350 / PH range: 6-7 |
-Data collection
Diffraction | Mean temperature: 100 K / Serial crystal experiment: N |
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Diffraction source | Source: ![]() |
Detector | Type: Bruker Platinum 135 / Detector: CCD / Date: Dec 28, 2017 / Details: HELIOS MIRRORS |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.54178 Å / Relative weight: 1 |
Reflection | Resolution: 1.8→42.025 Å / Num. obs: 46796 / % possible obs: 100 % / Redundancy: 16.99 % / Rsym value: 0.0925 / Net I/σ(I): 21.68 |
Reflection shell | Resolution: 1.8→1.9 Å / Mean I/σ(I) obs: 1.91 / Num. unique obs: 6911 / Rsym value: 0.7928 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: PDB entry 4NI5 Resolution: 1.8→42.025 Å / Cor.coef. Fo:Fc: 0.97 / Cor.coef. Fo:Fc free: 0.951 / SU B: 2.871 / SU ML: 0.086 / Cross valid method: FREE R-VALUE / ESU R: 0.119 / ESU R Free: 0.121 Details: Hydrogens have been added in their riding positions
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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 BULK SOLVENT | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 22.962 Å2
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Refinement step | Cycle: LAST / Resolution: 1.8→42.025 Å
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Refine LS restraints |
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LS refinement shell |
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