› 4c6v

X-ray diffraction
2.7Å resolution

Crystal structure of M. tuberculosis KasA in complex with TLM5 (Soak for 5 min)

Released:
DOI: 10.2210/pdb4c6v/pdb
PDB 4c6v coloured by chain and viewed from the front.
PDB 4c6v coloured by chain and viewed from the side.
PDB 4c6v coloured by chain and viewed from the top.
Source organism: Mycobacterium tuberculosis H37Rv
Entry authors: Schiebel J, Kapilashrami K, Fekete A, Bommineni GR, Schaefer CM, Mueller MJ, Tonge PJ, Kisker C

Function and Biology Details

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

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
3-OXOACYL-[ACYL-CARRIER-PROTEIN] SYNTHASE 1 Chain: A
Molecule details ›
Chain: A
Length: 439 amino acids
Theoretical weight: 45.82 KDa
Source organism: Mycobacterium tuberculosis H37Rv
Expression system: Mycolicibacterium smegmatis
Structure domains: Peroxisomal Thiolase; Chain A, domain 1

Ligands and Environments

3 bound ligands:
Ligand EDO 1 x EDO
Ligand K 1 x K
Ligand TLG 1 x TLG
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: BESSY BEAMLINE 14.1
Spacegroup: P3121
Unit cell:
a: 77.23Å b: 77.23Å c: 146.851Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.18 0.176 0.242
Expression system: Mycolicibacterium smegmatis

Quick links

Citations

1 review citation

Tuberculosis Drug Discovery: A Decade of Hit Assessment for Defined Targets.
Oh et al. (2021)
11 other articles

1 mention without citation

Structural basis for the recognition of mycolic acid precursors by KasA, a condensing enzyme and drug target from Mycobacterium tuberculosis.
Schiebel et al. (2013)