1C14: E coli enoyl reductase-NAD+-triclosan complex

Crystal structure of E coli enoyl reductase-NAD+-triclosan complex. Determined by X-ray diffraction at 2.0 Å resolution. Released 20 Jul 2000.

Method

X-ray diffraction

Resolution

2.0 Å

Organism

Escherichia coli

Chains

2

Atoms

4,161

Mol. weight

57.69 kDa

Ligands

TCL, NAD

Released

20 Jul 2000

Explore 1C14 in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

1C14 contains 36 α-helices and 16 β-strands across 2 chains. Residue ranges use author residue numbering, as in the PDB file, from PDBe. To see them in 3D, choose the Cartoon representation with Secondary structure coloring: helices, sheets and coils get different colors.

Chain A: 18 helices, 7 β-strands

Molecules and chains

>1C14_1 ENOYL REDUCTASE (chains A, B)
MGFLSGKRILVTGVASKLSIAYGIAQAMHREGAELAFTYQNDKLKGRVEEFAAQLGSDIV
LQCDVAEDASIDTMFAELGKVWPKFDGFVHSIGFAPGDQLDGDYVNAVTREGFKIAHDIS
SYSFVAMAKACRSMLNPGSALLTLSYLGAERAIPNYNVMGLAKASLEANVRYMANAMGPE
GVRVNAISAGPIRTLAASGIKDFRKMLAHCEAVTPIRRTVTIEDVGNSAAFLCSDLSAGI
SGEVVHVDGGFSIAAMNELELK

Ligands and cofactors

Primary citation

Molecular basis for triclosan activity involves a flipping loop in the active site. Qiu, X., Janson, C.A., Court, R.I. et al. Protein Sci (1999) 8:2529-2532. PubMed

Related structures

Other PDB entries of the same protein (UniProt P0AEK4 (AlphaFold model), which also has an AlphaFold model), best resolution first:

• 7UMW 1.54 Å, Crystal structure of E. Coli FabI in complex with NAD and Fabimycin…
• 7UM8 1.7 Å, Crystal structure of E. Coli FabI in complex with NAD and…
• 1QSG 1.75 Å, Crystal structure of enoyl reductase inhibition by triclosan
• 4CV2 1.8 Å, Crystal structure of E. coli FabI in complex with NADH and CG400549
• 1QG6 1.9 Å, Crystal structure of E. Coli enoyl acyl carrier protein reductase in complex with NAD…
• 3PJF 1.9 Å, Structure of ENR G93V mutant-NAD+-triclosan complex
• 4CV3 1.95 Å, Crystal structure of E. coli FabI in complex with NADH and PT166
• 5CFZ 1.97 Å, Crystal structure of E. coli FabI in apo form
• 4D46 2.0 Å, Crystal structure of E. coli FabI in complex with NAD and…
• 5CG1 2.07 Å, Crystal structure of E. coli FabI bound to the carbamoylated benzodiazaborine inhibitor…
• 1DFI 2.09 Å, X-ray structure of escherichia coli enoyl reductase with bound NAD
• 5CG2 2.11 Å, Crystal structure of E. coli FabI bound to the thiocarbamoylated benzodiazaborine…

Browse more

1C14 is part of these collections:

• Drugs bound to their targets

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