› 3pje

X-ray diffraction
2.5Å resolution

Structure of ENR G93S mutant-NAD+-triclosan complex

Released:
DOI: 10.2210/pdb3pje/pdb
PDB entry 3pje coloured by chain, front view.
PDB entry 3pje coloured by chain, side view.
PDB entry 3pje coloured by chain, top view.
Source organism: Escherichia coli K-12
Primary publication:
Structural basis of triclosan resistance.
Singh NJ, Shin D, Lee HM, Kim HT, Chang HJ, Cho JM, Kim KS, Ro S
J Struct Biol 174 173-9 (2011)
PMID: 21094257

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:
Sequence domains:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-142472 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Enoyl-[acyl-carrier-protein] reductase [NADH] FabI Chains: A, B
Molecule details ›
Chains: A, B
Length: 270 amino acids
Theoretical weight: 28.99 KDa
Source organism: Escherichia coli K-12
Expression system: Escherichia coli
UniProt:
  • Canonical: P0AEK4 (Residues: 1-262; Coverage: 100%)
Gene names: JW1281, b1288, envM, 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 MICROMAX-007
Spacegroup: P6122
Unit cell:
a: 80.854Å b: 80.854Å c: 328.404Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.221 0.22 0.248
Expression system: Escherichia coli

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Citations

8 citation in other articles

Dental composite materials containing carolacton inhibit biofilm growth of Streptococcus mutans.
Apel et al. (2013)
7 more