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- PDB-4jad: STRUCTURAL DETERMINATION OF THE A50T:S279G:S280K:V281K:K282E:H283... -
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Open data
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Basic information
Entry | Database: PDB / ID: 4jad | |||||||||
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Title | STRUCTURAL DETERMINATION OF THE A50T:S279G:S280K:V281K:K282E:H283N VARIANT OF CITRATE SYNTHASE from E. COLI | |||||||||
![]() | Citrate synthase | |||||||||
![]() | TRANSFERASE / CITRATE SYNTHASE / GRAM-NEGATIVE BACTERIA / ALLOSTERY / OXALOACETATE / ACETYLCOA / NADH / ALLOSTERIC ENZYME / TRICARBOXYLIC ACID CYCLE | |||||||||
Function / homology | ![]() citrate synthase (unknown stereospecificity) / citrate (Si)-synthase activity / NADH binding / protein hexamerization / tricarboxylic acid cycle / identical protein binding / cytosol Similarity search - Function | |||||||||
Biological species | ![]() ![]() | |||||||||
Method | ![]() ![]() ![]() | |||||||||
![]() | Maurus, R. / Brayer, G.D. | |||||||||
![]() | ![]() Title: Enzyme-substrate complexes of allosteric citrate synthase: Evidence for a novel intermediate in substrate binding. Authors: Duckworth, H.W. / Nguyen, N.T. / Gao, Y. / Donald, L.J. / Maurus, R. / Ayed, A. / Bruneau, B. / Brayer, G.D. | |||||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 187.5 KB | Display | ![]() |
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PDB format | ![]() | 148.7 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 455.9 KB | Display | ![]() |
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Full document | ![]() | 494.3 KB | Display | |
Data in XML | ![]() | 41.1 KB | Display | |
Data in CIF | ![]() | 58.6 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 4jaeC ![]() 4jafC ![]() 4jagC ![]() 1k3p 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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1 | ![]()
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Unit cell |
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Components
#1: Protein | Mass: 47994.785 Da / Num. of mol.: 2 / Mutation: A50T, S279G, S280K, V281K, K282E, H283N Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() ![]() #2: Chemical | ChemComp-SO4 / #3: Water | ChemComp-HOH / | Sequence details | ASPARTATE AT POSITION 10 CHAIN A AND 1010 CHAIN B IS A POST-TRANSLATIONAL MODIFICATION OF ASN THAT ...ASPARTATE AT POSITION 10 CHAIN A AND 1010 CHAIN B IS A POST-TRANSLATIO | |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 4.38 Å3/Da / Density % sol: 71.94 % |
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Crystal grow | Temperature: 298 K / Method: vapor diffusion, hanging drop / pH: 7.5 Details: 2% PEG, 2.0-2.3 M AMMONIUM SULFATE, 0.1 M NA HEPES, PH 7.5, HANGING DROP, TEMPERATURE 298K, VAPOR DIFFUSION, HANGING DROP |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: ADSC QUANTUM 315r / Detector: CCD / Date: Feb 28, 2008 / Details: VERTICAL FOCUSING MIRROR |
Radiation | Monochromator: SIDE SCATTERING I-BEAM BENT SINGLE CRYSTAL / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.97 Å / Relative weight: 1 |
Reflection | Resolution: 1.9→30 Å / Num. obs: 124116 / % possible obs: 96.5 % / Observed criterion σ(I): 0 / Redundancy: 3.3 % / Rmerge(I) obs: 0.061 / Net I/σ(I): 9.3 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: 1K3P ![]() 1k3p Resolution: 1.9→30 Å / σ(F): 0 / Stereochemistry target values: ENGH & HUBER
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Solvent computation | Bsol: 83.42 Å2 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 32.35 Å2 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 1.9→30 Å
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Refine LS restraints |
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Xplor file |
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