› 6t6n

X-ray diffraction
2.5Å resolution

Crystal structure of Klebsiella pneumoniae FabG2(NADH-dependent) in complex with NADH at 2.5 A resolution

Released:
DOI: 10.2210/pdb6t6n/pdb
PDB entry 6t6n coloured by chain, front view.
PDB entry 6t6n coloured by chain, side view.
PDB entry 6t6n coloured by chain, top view.
Source organism: Klebsiella pneumoniae 30684/NJST258_2
Primary publication:
A FabG inhibitor targeting an allosteric binding site inhibits several orthologs from Gram-negative ESKAPE pathogens.
Vella P, Rudraraju RS, Lundbäck T, Axelsson H, Almqvist H, Vallin M, Schneider G, Schnell R
Bioorg Med Chem 30 115898 (2021)
PMID: 33388594

Function and Biology Details

Reaction catalysed: 
(3R)-3-hydroxyacyl-[acyl-carrier-protein] + NADP(+) = 3-oxoacyl-[acyl-carrier-protein] + NADPH
Biochemical function:
Biological process:
  • not assigned
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
homo tetramer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-197818 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
3-oxoacyl-[acyl-carrier protein] reductase Chains: A, B, C, D, E, F, G, H
Molecule details ›
Chains: A, B, C, D, E, F, G, H
Length: 245 amino acids
Theoretical weight: 25.64 KDa
Source organism: Klebsiella pneumoniae 30684/NJST258_2
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: W8VGR4 (Residues: 1-244; Coverage: 100%)
Gene name: KPNJ2_02761
Sequence domains: Enoyl-(Acyl carrier protein) reductase

Ligands and Environments


Cofactor: Ligand NAI 8 x NAI
2 bound ligands:
Ligand GOL 19 x GOL
Ligand MLT 1 x MLT
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID23-1
Spacegroup: F222
Unit cell:
a: 161.109Å b: 255.316Å c: 262.312Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.193 0.192 0.211
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

2 review citations

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

1 mention without citation

Crystal structure of a putative short-chain dehydrogenase/reductase from Paraburkholderia xenovorans.
Davidson et al. (2022)