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Ligand · JA3

JA3 · 5-ethyl-4-fluoro-2-[(2-fluoropyridin-3-yl)oxy]phenol

JA3, 5-ethyl-4-fluoro-2-[(2-fluoropyridin-3-yl)oxy]phenol (C13 H11 F2 N O2, 251.2 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5 Å, the residues it binds…

Component
JA3
Formula
C13 H11 F2 N O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

JA3 in 2 structures; the first of them:

  • 4D44 · Crystal structure of S. aureus FabI in complex with NADP and 5-ethyl… · JA3 A1259 · binds ALA95, PHE96, ALA97, LEU102, TYR147, TYR157, MET160, LYS164 and 7 more
  • 4D44 · Crystal structure of S. aureus fabi in complex with NADP and… · JA3 A1259 · binds ALA95, PHE96, ALA97, LEU102, TYR147, TYR157, MET160, LYS164 and 7 more

Residues it binds most

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

Found with

  • GLU · Glutamic acid
  • NAP · Nadp nicotinamide-adenine-dinucleotide phosphate
  • MRD · (4R)-2-methylpentane-2,4-diol

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