› 5c9r

X-ray diffraction
2Å resolution

Crystal structure of Mycobacterium tuberculosis malate synthase in complex with 3-((4-chlorophenyl)thio)propanoic acid

Released:
DOI: 10.2210/pdb5c9r/pdb
PDB entry 5c9r coloured by chain, front view.
PDB entry 5c9r coloured by chain, side view.
PDB entry 5c9r coloured by chain, top view.
Source organism: Mycobacterium tuberculosis H37Rv
Primary publication:
Mycobacterium tuberculosis Malate Synthase Structures with Fragments Reveal a Portal for Substrate/Product Exchange.
Huang HL, Krieger IV, Parai MK, Gawandi VB, Sacchettini JC
J Biol Chem 291 27421-27432 (2016)
PMID: 27738104

Function and Biology Details

Reaction catalysed: 
Acetyl-CoA + H(2)O + glyoxylate = (S)-malate + CoA
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-161718 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Malate synthase G Chain: A
Molecule details ›
Chain: A
Length: 741 amino acids
Theoretical weight: 80.46 KDa
Source organism: Mycobacterium tuberculosis H37Rv
Expression system: Escherichia coli BL21
UniProt:
  • Canonical: P9WK17 (Residues: 1-741; Coverage: 100%)
Gene names: MTCY1A11.06, Rv1837c, glcB
Sequence domains:
Structure domains:

Ligands and Environments

2 bound ligands:
Ligand MG 1 x MG
Ligand 4YZ 1 x 4YZ
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 19-ID
Spacegroup: P43212
Unit cell:
a: 78.497Å b: 78.497Å c: 224.279Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.191 0.187 0.25
Expression system: Escherichia coli BL21

Quick links

Citations

3 review citations

The present state of the tuberculosis drug development pipeline.
J Libardo et al. (2018)
2 more

1 mention without citation

Mycobacterium tuberculosis Malate Synthase Structures with Fragments Reveal a Portal for Substrate/Product Exchange.
Huang et al. (2016)