› 3am5

X-ray diffraction
2.05Å resolution

K316A mutant of Enoyl-ACP Reductase from Plasmodium falciparum (PfENR) in complex with triclosan

Released:
DOI: 10.2210/pdb3am5/pdb
PDB entry 3am5 coloured by chain, front view.
PDB entry 3am5 coloured by chain, side view.
PDB entry 3am5 coloured by chain, top view.
Source organism: Plasmodium falciparum
Primary publication:
Effect of substrate binding loop mutations on the structure, kinetics, and inhibition of enoyl acyl carrier protein reductase from Plasmodium falciparum.
Maity K, Banerjee T, Prabakaran N, Surolia N, Surolia A, Suguna K
IUBMB Life 63 30-41 (2011)
PMID: 21280175

Function and Biology Details

Reaction catalysed: 
An acyl-[acyl-carrier protein] + NAD(+) = a trans-2,3-dehydroacyl-[acyl-carrier protein] + NADH
Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
homo tetramer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-189641 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Enoyl-ACP reductase Chains: A, B
Molecule details ›
Chains: A, B
Length: 329 amino acids
Theoretical weight: 37.19 KDa
Source organism: Plasmodium falciparum
Expression system: Escherichia coli
UniProt:
  • Canonical: Q9BJJ9 (Residues: 96-424; Coverage: 80%)
Gene name: FabI
Sequence domains: Enoyl-(Acyl carrier protein) reductase
Structure domains: NAD(P)-binding Rossmann-like Domain

Ligands and Environments


Cofactor: Ligand NAD 2 x NAD
1 bound ligand:
Ligand TCL 2 x TCL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU RU200
Spacegroup: P43212
Unit cell:
a: 131.11Å b: 131.11Å c: 82.78Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.166 0.164 0.207
Expression system: Escherichia coli

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Citations

5 citation in other articles

Staphylococcus aureus FabI: inhibition, substrate recognition, and potential implications for in vivo essentiality.
Schiebel et al. (2012)
4 more