1I30: E. Coli Enoyl Reductase +NAD+SB385826

E. Coli Enoyl Reductase +NAD+SB385826. Determined by X-ray diffraction at 2.4 Å resolution. Released 12 Feb 2002.

Method: X-ray diffraction
Resolution: 2.4 Å
Organism: Escherichia coli
Chains: 2
Atoms: 4,121
Mol. weight: 57.91 kDa
Ligands: NAD, 826
Released: 12 Feb 2002

Explore 1I30 in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

1I30 contains 35 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, 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	42-44	3
α-helix	45-54	10
β-strand	60-62	3	1
α-helix	68-81	14
β-strand	85	1	2
β-strand	88-90	3	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	1	2
α-helix	136	1
β-strand	139-145	7	1
α-helix	147-149	3
α-helix	158-177	20
α-helix	178-180	3
β-strand	182-189	8	1
α-helix	204-213	10
α-helix	222-232	11
α-helix	235-237	3
β-strand	244-247	4	1
α-helix	251-253	3

Chain B: 17 helices, 7 β-strands

Element	Residues	Length	Sheet
β-strand	1008-1011	4	3
α-helix	1020-1030	11
β-strand	1034-1039	6	3
α-helix	1045-1054	10
β-strand	1060-1062	3	3
α-helix	1068-1078	11
β-strand	1085-1090	6	3
α-helix	1097-1100	4
α-helix	1104-1107	4
α-helix	1110-1117	8
α-helix	1118-1122	5
α-helix	1123-1131	9
α-helix	1132-1134	3
β-strand	1135-1145	11	3
α-helix	1147-1149	3
α-helix	1158-1177	20
α-helix	1178-1180	3
β-strand	1182-1189	8	3
α-helix	1190-1191	2
α-helix	1204-1213	10
α-helix	1222-1232	11
α-helix	1235-1237	3
β-strand	1244-1247	4	3
α-helix	1251-1253	3

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Enoyl-[acyl-carrier-protein] reductase [NADH]	A, B	protein	262	Escherichia coli	P0AEK4 (AlphaFold model)

Sequence of entity 1 (A, B), FASTA

>1I30_1 ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADH] (chains A, B)
MGFLSGKRILVTGVASKLSIAYGIAQAMHREGAELAFTYQNDKLKGRVEEFAAQLGSDIV
LQCDVAEDASIDTMFAELGKVWPKFDGFVHSIGFAPGDQLDGDYVNAVTREGFKIAHDIS
SYSFVAMAKACRSMLNPGSALLTLSYLGAERAIPNYNVMGLAKASLEANVRYMANAMGPE
GVRVNAISAGPIRTLAASGIKDFRKMLAHCEAVTPIRRTVTIEDVGNSAAFLCSDLSAGI
SGEVVHVDGGFSIAAMNELELK

Ligands and cofactors

ID	Name	Formula	Copies
NAD	Nicotinamide-adenine-dinucleotide	C21 H27 N7 O14 P2	2
826	1,3,4,9-tetrahydro-2-(hydroxybenzoyl)-9-[(4-hydroxyphenyl)methyl]-6-methoxy-2H-…	C25 H22 N2 O3	2

Primary citation

Inhibitors of bacterial enoyl acyl carrier protein reductase (FabI): 2,9-disubstituted 1,2,3,4-tetrahydropyrido[3,4-b]indoles as potential antibacterial agents. Seefeld, M.A., Miller, W.H., Newlander, K.A. et al. Bioorg Med Chem Lett (2001) 11:2241-2244. DOI 10.1016/S0960-894X(01)00404-8 · 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…
1DFI 2.09 Å, X-ray structure of escherichia coli enoyl reductase with bound NAD

Browse structure collections

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