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- PDB-5grl: Crystal structure of the alpha gamma heterodimer of human IDH3 in... -
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Open data
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Basic information
Entry | Database: PDB / ID: 5grl | ||||||||||||
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Title | Crystal structure of the alpha gamma heterodimer of human IDH3 in complex with Mg(2+), isocitrate and ADP | ||||||||||||
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![]() | OXIDOREDUCTASE / allosteric regulation / isocitrate dehydrogenase | ||||||||||||
Function / homology | ![]() : / isocitrate dehydrogenase (NAD+) / isocitrate dehydrogenase (NAD+) activity / Citric acid cycle (TCA cycle) / isocitrate metabolic process / Mitochondrial protein import / tricarboxylic acid cycle / Mitochondrial protein degradation / NAD binding / carbohydrate metabolic process ...: / isocitrate dehydrogenase (NAD+) / isocitrate dehydrogenase (NAD+) activity / Citric acid cycle (TCA cycle) / isocitrate metabolic process / Mitochondrial protein import / tricarboxylic acid cycle / Mitochondrial protein degradation / NAD binding / carbohydrate metabolic process / mitochondrial matrix / nucleolus / magnesium ion binding / mitochondrion / ATP binding / nucleus Similarity search - Function | ||||||||||||
Biological species | ![]() | ||||||||||||
Method | ![]() ![]() ![]() | ||||||||||||
![]() | Ma, T. / Ding, J. | ||||||||||||
Funding support | ![]()
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![]() | ![]() Title: Molecular mechanism of the allosteric regulation of the alpha gamma heterodimer of human NAD-dependent isocitrate dehydrogenase. Authors: Ma, T. / Peng, Y. / Huang, W. / Ding, J. | ||||||||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 141.5 KB | Display | ![]() |
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PDB format | ![]() | 107.9 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 830.4 KB | Display | ![]() |
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Full document | ![]() | 836.5 KB | Display | |
Data in XML | ![]() | 24 KB | Display | |
Data in CIF | ![]() | 32.5 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 5greC ![]() 5grfC ![]() 5grhC ![]() 5griSC C: citing same article ( 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: 36682.176 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() References: UniProt: P50213, isocitrate dehydrogenase (NAD+) | ||||
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#2: Protein | Mass: 38867.523 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() References: UniProt: P51553, isocitrate dehydrogenase (NAD+) | ||||
#3: Chemical | #4: Chemical | ChemComp-ADP / | #5: Chemical | ChemComp-ICT / | |
-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 3.44 Å3/Da / Density % sol: 64.24 % |
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Crystal grow | Temperature: 293 K / Method: vapor diffusion, hanging drop / pH: 7.5 / Details: 0.1 M HEPES-Na, pH 7.5, 12% (w/v) PEG 3350 |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: DECTRIS PILATUS3 6M / Detector: PIXEL / Date: Jun 2, 2015 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.97915 Å / Relative weight: 1 |
Reflection | Resolution: 2.79→50 Å / Num. obs: 25878 / % possible obs: 98.1 % / Redundancy: 2.8 % / Net I/σ(I): 14.5 |
Reflection shell | Resolution: 2.8→2.9 Å |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: 5GRI Resolution: 2.79→50 Å / Cor.coef. Fo:Fc: 0.896 / Cor.coef. Fo:Fc free: 0.851 / SU B: 15.599 / SU ML: 0.3 / Cross valid method: THROUGHOUT / σ(F): 0 / ESU R: 0.748 / ESU R Free: 0.361 Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS U VALUES
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Solvent computation | Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso max: 113.92 Å2 / Biso mean: 39.353 Å2 / Biso min: 10 Å2
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Refinement step | Cycle: final / Resolution: 2.79→50 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 2.794→2.866 Å / Total num. of bins used: 20
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