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- PDB-8giw: C143K variant of Citrate Synthase (CitA) in Mycobacterium tuberculosis -
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Open data
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Basic information
Entry | Database: PDB / ID: 8giw | ||||||
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Title | C143K variant of Citrate Synthase (CitA) in Mycobacterium tuberculosis | ||||||
![]() | citrate synthase (unknown stereospecificity) | ||||||
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Function / homology | ![]() citrate synthase (unknown stereospecificity) / ![]() ![]() ![]() 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 | ![]() | 287.7 KB | Display | ![]() |
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PDB format | ![]() | 234.1 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Arichive directory | ![]() ![]() | HTTPS FTP |
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-Related structure data
Related structure data | ![]() 8gi7C ![]() 8glbC ![]() 8gllC ![]() 8gm9C ![]() 8gmfC ![]() 8gmiC ![]() 8gmkC ![]() 8s97C ![]() 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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2 | ![]()
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Unit cell |
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Components
-Protein , 1 types, 4 molecules ABCD
#1: Protein | Mass: 41045.641 Da / Num. of mol.: 4 / Mutation: C143K 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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-Non-polymers , 5 types, 56 molecules ![](data/chem/img/FLC.gif)
![](data/chem/img/EDO.gif)
![](data/chem/img/SO4.gif)
![](data/chem/img/PEG.gif)
![](data/chem/img/HOH.gif)
![](data/chem/img/EDO.gif)
![](data/chem/img/SO4.gif)
![](data/chem/img/PEG.gif)
![](data/chem/img/HOH.gif)
#2: Chemical | ChemComp-FLC / ![]() #3: Chemical | ChemComp-EDO / ![]() #4: Chemical | ![]() #5: Chemical | ChemComp-PEG / | ![]() #6: Water | ChemComp-HOH / | ![]() |
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-Details
Has ligand of interest | N |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 5.07 Å3/Da / Density % sol: 75.74 % |
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Crystal grow![]() | Temperature: 289 K / Method: vapor diffusion, hanging drop / Details: 0.2 M Ammonium Sulfate, 20 % (w/v) PEG 3350 |
-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: Jul 31, 2020 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength![]() |
Reflection | Resolution: 3.15→57.76 Å / Num. obs: 57957 / % possible obs: 99.92 % / Redundancy: 7.5 % / CC1/2: 0.996 / CC star: 0.999 / Rmerge(I) obs: 0.1102 / Rpim(I) all: 0.043 / Rrim(I) all: 0.1184 / Net I/σ(I): 12.7 |
Reflection shell | Resolution: 3.15→3.263 Å / Redundancy: 7.7 % / Rmerge(I) obs: 0.3562 / Mean I/σ(I) obs: 1.21 / Num. unique obs: 43843 / CC1/2: 0.952 / CC star: 0.988 / Rpim(I) all: 0.138 / Rrim(I) all: 0.3822 / % possible all: 99.95 |
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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: 3.15→57.76 Å
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Refine LS restraints |
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LS refinement shell |
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