› 4c71

X-ray diffraction
1.8Å resolution

Crystal structure of M. tuberculosis C171Q KasA in complex with TLM18

Released:
DOI: 10.2210/pdb4c71/pdb
PDB entry 4c71 coloured by chain, front view.
PDB entry 4c71 coloured by chain, side view.
PDB entry 4c71 coloured by chain, top view.
Source organism: Mycobacterium tuberculosis H37Rv
Primary publication:
Structural basis for the recognition of mycolic acid precursors by KasA, a condensing enzyme and drug target from Mycobacterium tuberculosis.
Schiebel J, Kapilashrami K, Fekete A, Bommineni GR, Schaefer CM, Mueller MJ, Tonge PJ, Kisker C
J Biol Chem 288 34190-34204 (2013)
PMID: 24108128

Function and Biology Details

Biochemical function:
Biological process:
  • not assigned
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-164336 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
3-OXOACYL-[ACYL-CARRIER-PROTEIN] SYNTHASE 1 Chains: A, B
Molecule details ›
Chains: A, B
Length: 439 amino acids
Theoretical weight: 45.85 KDa
Source organism: Mycobacterium tuberculosis H37Rv
Expression system: Mycolicibacterium smegmatis
Structure domains: Peroxisomal Thiolase; Chain A, domain 1

Ligands and Environments

5 bound ligands:
Ligand EDO 9 x EDO
Ligand K 2 x K
Ligand FMT 1 x FMT
Ligand 7RD 2 x 7RD
Ligand M7U 2 x M7U
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: BESSY BEAMLINE 14.1
Spacegroup: P212121
Unit cell:
a: 74.32Å b: 88.87Å c: 184.29Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.141 0.139 0.168
Expression system: Mycolicibacterium smegmatis

Quick links

Citations

2 review citations

Tuberculosis Drug Discovery: A Decade of Hit Assessment for Defined Targets.
Oh et al. (2021)
1 more

2 mentions without citation

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