1DFI: Escherichia coli enoyl reductase with bound NAD

X-ray structure of escherichia coli enoyl reductase with bound NAD. Determined by X-ray diffraction at 2.09 Å resolution. Released 28 Jan 1998.

Method: X-ray diffraction
Resolution: 2.09 Å
Organism: Escherichia coli
Chains: 4
Atoms: 7,839
Mol. weight: 113.7 kDa
Ligands: NAD
Released: 28 Jan 1998

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

Secondary structure: helices and β-sheets

1DFI contains 67 α-helices and 40 β-strands across 4 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: 17 helices, 9 β-strands

Element	Residues	Length	Sheet
β-strand	8-11	4	1
α-helix	20-30	11
β-strand	34-39	6	1
α-helix	45-54	10
β-strand	60-62	3	1
α-helix	68-81	14
β-strand	85-90	6	1
α-helix	97-100	4
α-helix	104-107	4
α-helix	110-117	8
α-helix	118-122	5
α-helix	123-131	9
α-helix	132-134	3
β-strand	135-145	11	1
α-helix	147-149	3
β-strand	152	1	2
α-helix	158-177	20
α-helix	178-180	3
β-strand	183-189	7	1
α-helix	190-191	2
α-helix	207-213	7
α-helix	222-233	12
α-helix	235-237	3
β-strand	244-247	4	1
α-helix	251-253	3
β-strand	254	1	3

Chain B: 16 helices, 9 β-strands

Element	Residues	Length	Sheet
β-strand	8-11	4	4
α-helix	20-30	11
β-strand	34-39	6	4
α-helix	45-54	10
β-strand	60-62	3	4
α-helix	68-81	14
β-strand	85-90	6	4
α-helix	97-100	4
α-helix	104-107	4
α-helix	110-117	8
α-helix	118-122	5
α-helix	123-131	9
α-helix	132-134	3
β-strand	135-145	11	4
α-helix	147-149	3
β-strand	152	1	5
α-helix	157-177	21
α-helix	178-180	3
β-strand	183-189	7	4
α-helix	207-213	7
α-helix	222-233	12
α-helix	235-237	3
β-strand	244-247	4	4
α-helix	251-253	3
β-strand	254	1	6

Chain C: 18 helices, 11 β-strands

Element	Residues	Length	Sheet
β-strand	8-11	4	7
α-helix	20-30	11
β-strand	34-39	6	7
α-helix	42-54	13
β-strand	60-62	3	7
α-helix	68-81	14
β-strand	85	1	8
β-strand	88-90	3	7
α-helix	97-100	4
α-helix	104-107	4
α-helix	110-117	8
α-helix	118-122	5
α-helix	123-131	9
α-helix	132-134	3
β-strand	135	1	8
α-helix	136	1
β-strand	140-145	6	7
α-helix	147-149	3
β-strand	152	1	6
α-helix	158-177	20
α-helix	178-180	3
β-strand	183-189	7	7
α-helix	190-191	2
α-helix	207-213	7
α-helix	222-233	12
α-helix	235-237	3
β-strand	244-247	4	7
α-helix	251-253	3
β-strand	254	1	5

Chain D: 16 helices, 11 β-strands

Element	Residues	Length	Sheet
β-strand	8-11	4	9
α-helix	20-30	11
β-strand	34-39	6	9
α-helix	42-54	13
β-strand	60-62	3	9
α-helix	68-81	14
β-strand	85-90	6	9
α-helix	97-100	4
α-helix	104-107	4
α-helix	110-117	8
α-helix	118-122	5
α-helix	123-131	9
α-helix	132-134	3
β-strand	135-145	11	9
α-helix	147-149	3
β-strand	152	1	3
α-helix	157-177	21
α-helix	178-180	3
β-strand	182-189	8	9
β-strand	192	1	10
α-helix	207-213	7
β-strand	220	1	10
α-helix	222-232	11
α-helix	235-237	3
β-strand	244-247	4	9
α-helix	251-253	3
β-strand	254	1	2

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Enoyl acyl carrier protein reductase	A, B, C, D	protein	261	Escherichia coli	P0AEK4 (AlphaFold model)

Sequence of entity 1 (A, B, C, D), FASTA

>1DFI_1 ENOYL ACYL CARRIER PROTEIN REDUCTASE (chains A, B, C, D)
GFLSGKRILVTGVASKLSIAYGIAQAMHREGAELAFTYQNDKLKGRVEEFAAQLGSDIVL
QCDVAEDASIDTMFAELGKVWPKFDGFVHSIGFAPGDQLDGDYVNAVTREGFKIAHDISS
YSFVAMAKACRSMLNPGSALLTLSYLGAERAIPNYNVMGLAKASLEANVRYMANAMGPEG
VRVNAISAGPIRTLAASGIKDFRKMLAHCEAVTPIRRTVTIEDVGNSAAFLCSDLSAGIS
GEVVHVDGGFSIAAMNELELK

Ligands and cofactors

ID	Name	Formula	Copies
NAD	Nicotinamide-adenine-dinucleotide	C21 H27 N7 O14 P2	4

Primary citation

A mechanism of drug action revealed by structural studies of enoyl reductase. Baldock, C., Rafferty, J.B., Sedelnikova, S.E. et al. Science (1996) 274:2107-2110. DOI 10.1126/science.274.5295.2107 · PubMed

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
1C14 2.0 Å, Crystal structure of E coli enoyl reductase-NAD+-triclosan complex
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…
5CG2 2.11 Å, Crystal structure of E. coli FabI bound to the thiocarbamoylated benzodiazaborine…

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