› 6p9k

X-ray diffraction
1.7Å resolution

Crystal structure of Mycobacterium tuberculosis KasA in complex with O6G

Released:
DOI: 10.2210/pdb6p9k/pdb
PDB entry 6p9k coloured by chain, front view.
PDB entry 6p9k coloured by chain, side view.
PDB entry 6p9k coloured by chain, top view.
Source organism: Mycobacterium tuberculosis
Primary publication:
A Preclinical Candidate Targeting Mycobacterium tuberculosis KasA.
Inoyama D, Awasthi D, Capodagli GC, Tsotetsi K, Sukheja P, Zimmerman M, Li SG, Jadhav R, Russo R, Wang X, Grady C, Richmann T, Shrestha R, Li L, Ahn YM, Ho Liang HP, Mina M, Park S, Perlin DS, Connell N, Dartois V, Alland D, Neiditch MB, Kumar P, Freundlich JS
Cell Chem Biol 27 560-570.e10 (2020)
PMID: 32197094

Function and Biology Details

Reaction catalysed: 
An ultra-long-chain mono-unsaturated acyl-[acyl-carrier protein] + a malonyl-[acyl-carrier protein] = an ultra-long-chain mono-unsaturated 3-oxo-fatty acyl-[acyl-carrier protein] + CO(2) + a holo-[acyl-carrier protein]
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-162071 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
3-oxoacyl-[acyl-carrier-protein] synthase 1 Chain: A
Molecule details ›
Chain: A
Length: 414 amino acids
Theoretical weight: 43.14 KDa
Source organism: Mycobacterium tuberculosis
Expression system: Mycolicibacterium smegmatis MC2 155
UniProt:
  • Canonical: P9WQD9 (Residues: 3-416; Coverage: 100%)
Gene names: MTCY427.26, Rv2245, kasA
Sequence domains:

Ligands and Environments

4 bound ligands:
Ligand NA 1 x NA
Ligand IPA 5 x IPA
Ligand GOL 1 x GOL
Ligand O6G 1 x O6G
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SSRL BEAMLINE BL14-1
Spacegroup: P3121
Unit cell:
a: 77.505Å b: 77.505Å c: 145.167Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.145 0.144 0.169
Expression system: Mycolicibacterium smegmatis MC2 155

Quick links

Citations

4 review citations

Anti-tuberculosis drug development via targeting the cell envelope of Mycobacterium tuberculosis.
Xu et al. (2022)
3 more

4 mentions without citation

Mycobacterium tuberculosis KasA as a drug target: Structure-based inhibitor design.
Rudraraju et al. (2022)
3 more