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- PDB-8s97: C143W variant of Citrate Synthase (CitA) in Mycobacterium tuberculosis -
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Open data
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Basic information
Entry | Database: PDB / ID: 8s97 | ||||||
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Title | C143W variant of Citrate Synthase (CitA) in Mycobacterium tuberculosis | ||||||
![]() | citrate synthase | ||||||
![]() | CYTOSOLIC PROTEIN / Citrate Synthesis / TCA cycle / C143W variant | ||||||
Function / homology | ![]() citrate synthase (unknown stereospecificity) / citrate (Si)-synthase activity / tricarboxylic acid cycle / carbohydrate metabolic process / cytosol Similarity search - Function | ||||||
Biological species | ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Pathirage, R. / Ronning, D. | ||||||
Funding support | ![]()
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![]() | ![]() Title: Mycobacterium tuberculosis CitA activity is modulated by cysteine oxidation and pyruvate binding. Authors: Pathirage, R. / Favrot, L. / Petit, C. / Yamsek, M. / Singh, S. / Mallareddy, J.R. / Rana, S. / Natarajan, A. / Ronning, D.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 | ![]() | 84.9 KB | Display | ![]() |
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PDB format | ![]() | 62.7 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 439.6 KB | Display | ![]() |
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Full document | ![]() | 442.1 KB | Display | |
Data in XML | ![]() | 14.7 KB | Display | |
Data in CIF | ![]() | 19 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 8gi7C ![]() 8giwC ![]() 8glbC ![]() 8gllC ![]() 8gm9C ![]() 8gmfC ![]() 8gmiC ![]() 8gmkC ![]() 8s9dC C: citing same article ( |
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Similar structure data | Similarity search - Function & homology ![]() |
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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: 41102.672 Da / Num. of mol.: 1 / Mutation: C143W Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() Gene: citA, SAMEA2683035_02214 / Production host: ![]() ![]() References: UniProt: A0A045JB88, citrate synthase (unknown stereospecificity) | ||||
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#2: Chemical | ChemComp-EDO / #3: Water | ChemComp-HOH / | Has ligand of interest | N | |
-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 7.72 Å3/Da / Density % sol: 84 % |
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Crystal grow | Temperature: 289 K / Method: vapor diffusion, hanging drop Details: 0.1 M Sodium Acetate pH 4.5, 3 M NaCl with the additive 5 % w/v D-sorbitol |
-Data collection
Diffraction | Mean temperature: 100 K / Serial crystal experiment: N |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: RAYONIX MX-300 / Detector: CCD / Date: Aug 7, 2020 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.97856 Å / Relative weight: 1 |
Reflection | Resolution: 2.7→50.5 Å / Num. obs: 35636 / % possible obs: 99.81 % / Redundancy: 15 % / CC1/2: 0.993 / Rmerge(I) obs: 0.2238 / Rpim(I) all: 0.05985 / Rrim(I) all: 0.2317 / Net I/σ(I): 5.78 |
Reflection shell | Resolution: 2.7→2.797 Å / Rmerge(I) obs: 1.774 / Num. unique obs: 3488 / CC1/2: 0.639 / Rpim(I) all: 0.4694 / Rrim(I) all: 1.836 |
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Processing
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Refinement | Method to determine structure: ![]()
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Solvent computation | Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 2.7→50.5 Å
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Refine LS restraints |
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LS refinement shell |
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