1MFP: E. coli Enoyl Reductase

E. coli Enoyl Reductase in complex with NAD and SB611113. Determined by X-ray diffraction at 2.33 Å resolution. Released 6 May 2003.

Method
X-ray diffraction
Resolution
2.33 Å
Organism
Escherichia coli
Chains
2
Atoms
4,180
Mol. weight
57.96 kDa
Ligands
IDN, NAD
Released
6 May 2003

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

Secondary structure: helices and β-sheets

1MFP contains 41 α-helices and 18 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: 21 helices, 9 β-strands

ElementResiduesLengthSheet
β-strand8-1141
α-helix20-3011
α-helix331
β-strand34-3961
α-helix42-443
α-helix45-539
β-strand60-6231
α-helix68-8114
β-strand8512
β-strand88-9031
α-helix97-1004
α-helix104-1074
α-helix110-1178
α-helix118-1225
α-helix123-1319
α-helix132-1343
β-strand13512
α-helix1361
β-strand140-14561
α-helix147-1493
α-helix158-17720
α-helix178-1803
β-strand183-18971
α-helix190-1912
α-helix195-1973
α-helix203-21311
α-helix222-23211
α-helix235-2373
β-strand244-24741
α-helix251-2533
Chain B: 20 helices, 9 β-strands
ElementResiduesLengthSheet
β-strand1008-101143
α-helix1020-103011
α-helix10331
β-strand1034-103963
α-helix1042-105413
β-strand1060-106233
α-helix1068-108114
β-strand108514
β-strand1088-109033
α-helix1097-11004
α-helix1104-11074
α-helix1110-11178
α-helix1118-11225
α-helix1123-11319
α-helix1132-11343
β-strand113514
α-helix11361
β-strand1139-114573
α-helix1147-11493
α-helix1157-117721
α-helix1178-11803
β-strand1182-118983
α-helix1190-11912
α-helix1195-11984
α-helix1203-121311
α-helix1222-123211
α-helix1235-12373
β-strand1244-124743
α-helix1251-12533

Molecules and chains

MoleculeChainsTypeLengthOrganismUniProt
enoyl-[acyl-carrier-protein] reductase [Nadh]A, Bprotein262Escherichia coliP0AEK4 (AlphaFold model)
Sequence of entity 1 (A, B), FASTA
>1MFP_1 enoyl-[acyl-carrier-protein] reductase [Nadh] (chains A, B)
MGFLSGKRILVTGVASKLSIAYGIAQAMHREGAELAFTYQNDKLKGRVEEFAAQLGSDIV
LQCDVAEDASIDTMFAELGKVWPKFDGFVHSIGFAPGDQLDGDYVNAVTREGFKIAHDIS
SYSFVAMAKACRSMLNPGSALLTLSYLGAERAIPNYNVMGLAKASLEANVRYMANAMGPE
GVRVNAISAGPIRTLAASGIKDFRKMLAHCEAVTPIRRTVTIEDVGNSAAFLCSDLSAGI
SGEVVHVDGGFSIAAMNELELK

Ligands and cofactors

IDNameFormulaCopies
IDN(e)-N-methyl-N-(1-methyl-1H-indol-3-ylmethyl)-3-(7-oxo-5,6,7,8-tetrahydro-[1,8]…C22 H22 N4 O22
NADNicotinamide-adenine-dinucleotideC21 H27 N7 O14 P22

Water and common crystallization additives (SO4) are not listed.

Primary citation

Indole Naphthyridinones as Inhibitors of Bacterial Enoyl-ACP Reductases FabI and FabK. Seefeld, M.A., Miller, W.H., Newlander, K.A. et al. J Med Chem (2003) 46:1627-1635. DOI 10.1021/jm0204035 · PubMed

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

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