› 2gyo

X-ray diffraction
2Å resolution

Methanethiol-Cys 112 Inhibition Complex of E. Coli Ketoacyl Synthase III (FabH) and Coenzyme A

Released:
DOI: 10.2210/pdb2gyo/pdb
PDB entry 2gyo coloured by chain, front view.
PDB entry 2gyo coloured by chain, side view.
PDB entry 2gyo coloured by chain, top view.
Source organism: Escherichia coli
Primary publication:
Alkyl-CoA disulfides as inhibitors and mechanistic probes for FabH enzymes.
Alhamadsheh MM, Musayev F, Komissarov AA, Sachdeva S, Wright HT, Scarsdale N, Florova G, Reynolds KA
Chem Biol 14 513-24 (2007)
PMID: 17524982

Function and Biology Details

Reaction catalysed: 
Acetyl-CoA + malonyl-[acyl-carrier-protein] = acetoacetyl-[acyl-carrier-protein] + CoA + CO(2)
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-531915 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Beta-ketoacyl-[acyl-carrier-protein] synthase III Chains: A, B
Molecule details ›
Chains: A, B
Length: 317 amino acids
Theoretical weight: 33.55 KDa
Source organism: Escherichia coli
Expression system: Escherichia coli
UniProt:
  • Canonical: P0A6R0 (Residues: 1-317; Coverage: 100%)
Gene names: JW1077, b1091, fabH
Sequence domains:
Structure domains: Peroxisomal Thiolase; Chain A, domain 1

Ligands and Environments


Cofactor: Ligand COA 1 x COA
2 bound ligands:
Ligand MEE 1 x MEE
Ligand SO4 2 x SO4
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU
Spacegroup: P212121
Unit cell:
a: 64.31Å b: 81.91Å c: 121.75Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.213 0.207 0.268
Expression system: Escherichia coli

Quick links

Citations

7 review citations

Bacterial lipids: metabolism and membrane homeostasis.
Parsons et al. (2013)
6 more

5 mentions without citation

A Review of Fatty Acid Biosynthesis Enzyme Inhibitors as Promising Antimicrobial Drugs.
Bibens et al. (2023)
4 more