› 2vba

X-ray diffraction
1.36Å resolution

beta-ketoacyl-ACP synthase I (KAS) from E. coli with bound amino- thiazole inhibitor

Released:
DOI: 10.2210/pdb2vba/pdb
PDB entry 2vba coloured by chain, front view.
PDB entry 2vba coloured by chain, side view.
PDB entry 2vba coloured by chain, top view.
Source organism: Escherichia coli
Primary publication:
Structure-assisted discovery of an aminothiazole derivative as a lead molecule for inhibition of bacterial fatty-acid synthesis.
Pappenberger G, Schulz-Gasch T, Kusznir E, Müller F, Hennig M
OpenAccess logo Acta Crystallogr D Biol Crystallogr 63 1208-16 (2007)
PMID: 18084068

Function and Biology Details

Reaction catalysed: 
Acyl-[acyl-carrier-protein] + malonyl-[acyl-carrier-protein] = 3-oxoacyl-[acyl-carrier-protein] + CO(2) + [acyl-carrier-protein]
Biochemical function:
Biological process:
Cellular component:
Sequence domains:
Structure domain:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-141812 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
3-oxoacyl-[acyl-carrier-protein] synthase 1 Chains: A, B, C, D
Molecule details ›
Chains: A, B, C, D
Length: 406 amino acids
Theoretical weight: 42.66 KDa
Source organism: Escherichia coli
Expression system: Escherichia coli
UniProt:
  • Canonical: P0A953 (Residues: 1-406; Coverage: 100%)
Gene names: JW2320, b2323, fabB, fabC
Sequence domains:
Structure domains: Peroxisomal Thiolase; Chain A, domain 1

Ligands and Environments

1 bound ligand:
Ligand P4T 1 x P4T
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SLS BEAMLINE X06SA
Spacegroup: P212121
Unit cell:
a: 58.95Å b: 139.48Å c: 212.17Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.121 0.119 0.151
Expression system: Escherichia coli

Quick links

Citations

1 review citation

Aromatic rings in chemical and biological recognition: energetics and structures.
Salonen et al. (2011)
5 other articles

2 mentions without citation

Structure-assisted discovery of an aminothiazole derivative as a lead molecule for inhibition of bacterial fatty-acid synthesis.
Pappenberger et al. (2007)
1 more