› 8gmi

X-ray diffraction
2.7Å resolution

Citrate Synthase (CitA) in Mycobacterium tuberculosis modified by Ebselen at C143 residue

Released:
DOI: 10.2210/pdb8gmi/pdb
PDB entry 8gmi coloured by chain, front view.
PDB entry 8gmi coloured by chain, side view.
PDB entry 8gmi coloured by chain, top view.
Source organism: Mycobacterium tuberculosis H37Rv
Primary publication:
Mycobacterium tuberculosis CitA activity is modulated by cysteine oxidation and pyruvate binding.
Pathirage R, Favrot L, Petit C, Yamsek M, Singh S, Mallareddy JR, Rana S, Natarajan A, Ronning DR
RSC Med Chem 14 921-933 (2023)
PMID: 37252106

Function and Biology Details

Reaction catalysed: 
Acetyl-CoA + H(2)O + oxaloacetate = citrate + CoA
Biochemical function:
Biological process:
Cellular component:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-235117 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Putative citrate synthase 2 Chains: A, B, C, D, E, F, G, H
Molecule details ›
Chains: A, B, C, D, E, F, G, H
Length: 379 amino acids
Theoretical weight: 41.02 KDa
Source organism: Mycobacterium tuberculosis H37Rv
Expression system: Escherichia coli
UniProt:
  • Canonical: P9WPD3 (Residues: 1-373; Coverage: 100%)
Gene names: MTCY31.17c, Rv0889c, citA
Sequence domains: Citrate synthase, C-terminal domain

Ligands and Environments

2 bound ligands:
Ligand 9JT 8 x 9JT
Ligand FLC 5 x FLC
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 21-ID-F
Spacegroup: P212121
Unit cell:
a: 122.017Å b: 167.486Å c: 220.997Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.221 0.214 0.253
Expression system: Escherichia coli

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