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Yorodumi- PDB-5a1t: Trichomonas vaginalis lactate dehydrogenase in complex with NADH ... -
+Open data
-Basic information
Entry | Database: PDB / ID: 5a1t | |||||||||
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Title | Trichomonas vaginalis lactate dehydrogenase in complex with NADH and oxamate | |||||||||
Components | L-LACTATE DEHYDROGENASELactate dehydrogenase | |||||||||
Keywords | OXIDOREDUCTASE / LACTATE DEHYDROGENASE | |||||||||
Function / homology | Function and homology information L-malate dehydrogenase activity / malate metabolic process / L-lactate dehydrogenase / L-lactate dehydrogenase activity / oxaloacetate metabolic process / NADH metabolic process / tricarboxylic acid cycle / nucleotide binding Similarity search - Function | |||||||||
Biological species | TRICHOMONAS VAGINALIS (eukaryote) | |||||||||
Method | X-RAY DIFFRACTION / MOLECULAR REPLACEMENT / Resolution: 1.97 Å | |||||||||
Authors | Steindel, P.A. / Chen, E.H. / Theobald, D.L. | |||||||||
Citation | Journal: Protein Sci. / Year: 2016 Title: Gradual Neofunctionalization in the Convergent Evolution of Trichomonad Lactate and Malate Dehydrogenases. Authors: Steindel, P.A. / Chen, E.H. / Wirth, J.D. / Theobald, D.L. | |||||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 5a1t.cif.gz | 391.3 KB | Display | PDBx/mmCIF format |
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PDB format | pdb5a1t.ent.gz | 327.9 KB | Display | PDB format |
PDBx/mmJSON format | 5a1t.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/a1/5a1t ftp://data.pdbj.org/pub/pdb/validation_reports/a1/5a1t | HTTPS FTP |
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-Related structure data
Related structure data | 4uulSC 4uumC 4uunC 4uuoC 4uupC S: Starting model for refinement C: citing same article (ref.) |
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Similar structure data |
-Links
-Assembly
Deposited unit |
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2 |
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Unit cell |
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Components on special symmetry positions |
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-Components
#1: Protein | Mass: 37954.312 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Source: (gene. exp.) TRICHOMONAS VAGINALIS (eukaryote) / Production host: ESCHERICHIA COLI (E. coli) / References: UniProt: O96445, L-lactate dehydrogenase #2: Chemical | #3: Chemical | #4: Water | ChemComp-HOH / | |
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-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION / Number of used crystals: 1 |
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-Sample preparation
Crystal | Density Matthews: 2.5 Å3/Da / Density % sol: 50 % / Description: NONE |
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Crystal grow | Details: 0.2 M POTASSIUM SODIUM TARTRATE TETRAHYDRATE, 0.1 M SODIUM CITRATE TRIBASIC DIHYDRATE PH 5.6, 2.0 M AMMONIUM SULFATE |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: ROTATING ANODE / Type: OXFORD ENHANCE ULTRA / Wavelength: 1.54 |
Detector | Type: OXFORD / Detector: CCD / Date: Nov 7, 2011 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.54 Å / Relative weight: 1 |
Reflection | Resolution: 1.97→47 Å / Num. obs: 39768 / % possible obs: 73.1 % / Observed criterion σ(I): 1.31 / Redundancy: 13 % / Biso Wilson estimate: 20.3 Å2 / Rmerge(I) obs: 0.02 / Net I/σ(I): 14.7 |
Reflection shell | Resolution: 1.97→2.02 Å / Redundancy: 7.8 % / Rmerge(I) obs: 1.5 / Mean I/σ(I) obs: 1.3 / % possible all: 54.4 |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: PDB ENTRY 4UUL Resolution: 1.97→46.998 Å / SU ML: 0.26 / σ(F): 1.33 / Phase error: 27.34 / Stereochemistry target values: ML
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Solvent computation | Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 24 Å2 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 1.97→46.998 Å
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Refine LS restraints |
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LS refinement shell |
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