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Ligand · AEW

AEW · 1-(3-amino-2-methylbenzyl)-4-hexylpyridin-2(1H)-one

AEW, 1-(3-amino-2-methylbenzyl)-4-hexylpyridin-2(1H)-one (C19 H26 N2 O, 298.4 g/mol), in the MolNFT structures on GenesisL1: bound in 3 records (2 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most…

Component
AEW
Formula
C19 H26 N2 O
Class
ligand
Structures
3
PDB entries
2

Binding sites

AEW in 3 structures; the first of them:

  • 3ZU5 · Structure of the enoyl-ACP reductase FabV from Yersinia pestis with the cofactor NADH and… · AEW A1401 · binds ALA140, SER141, SER155, LEU157, MET196, TYR225, THR231, TYR235 and 7 more
  • 4CUZ · Crystal structure of S. aureus FabI in complex with NADPH and PT173 · AEW A1257 · binds ALA95, PHE96, ALA97, LEU102, TYR147, VAL154, GLN155, ASN156 and 9 more
  • 3ZU5 · Structure of the enoyl-acp reductase fabv from yersinia pestis with the cofactor NADH and… · AEW A1401 · binds ALA140, SER141, SER155, LEU157, MET196, TYR225, THR231, TYR235 and 7 more
  • 4CUZ · Crystal structure of S. aureus fabi in complex with NADPH and PT173 · AEW A1257 · binds ALA95, PHE96, ALA97, LEU102, TYR147, VAL154, GLN155, ASN156 and 9 more

Residues it binds most

ALA 16, TYR 16, PHE 14, MET 16, VAL 14, SER 16, LEU 16, LYS 16, ASN 14, GLN 14 (residue and the binding sites it lines).

Found with

  • NAI · 1,4-dihydronicotinamide adenine dinucleotide
  • NDP · Nadph dihydro-nicotinamide-adenine-dinucleotide phosphate
  • NA · Sodium ion
  • SO4 · Sulfate ion

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