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Ligand · ACJ

ACJ · 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoic acid

ACJ, 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoic acid (C14 H7 Cl F3 N O5, 361.7 g/mol), in the MolNFT structures on GenesisL1: bound in 10 records (5 PDB entries). Every binding site with its residues within 4.5 Å, the residues…

Component
ACJ
Formula
C14 H7 Cl F3 N O5
Class
ligand
Structures
10
PDB entries
5

Binding sites

ACJ in 10 structures; the first of them:

  • 2IVD · Structure of protoporphyrinogen oxidase from Myxococcus xanthus with acifluorfen · ACJ A1465 · binds ARG95, THR166, GLY167, ILE168, TYR169, ALA170, ILE311, PHE329 and 9 more
  • 3I6D · Crystal structure of PPO from bacillus subtilis with AF · ACJ A471 · binds LEU68, LYS71, GLY175, ILE176, TYR177, TYR366, MET413, VAL448
  • 3NKS · Structure of human protoporphyrinogen IX oxidase · ACJ A478 · binds ARG97, PHE98, LEU166, ARG168, GLY169, VAL170, PHE171, ALA172 and 11 more
  • 4IVM · Structure of human protoporphyrinogen IX oxidase(R59G) · ACJ B501 · binds ARG62, ARG97, PHE98, ARG168, GLY169, VAL170, PHE171, ALA172 and 11 more
  • 4IVO · Structure of human protoporphyrinogen IX oxidase(R59Q) · ACJ B501 · binds ARG62, ARG97, PHE98, ARG168, GLY169, VAL170, PHE171, ALA172 and 11 more
  • 2IVD · Structure of protoporphyrinogen oxidase from myxococcus xanthus with acifluorfen · ACJ A1465 · binds ARG95, THR166, GLY167, ILE168, TYR169, ALA170, ILE311, PHE329 and 9 more
  • 3I6D · Crystal structure of ppo from bacillus subtilis with af · ACJ A471 · binds LEU68, LYS71, GLY175, ILE176, TYR177, TYR366, MET413, VAL448
  • 3NKS · Structure of human protoporphyrinogen IX oxidase · ACJ A478 · binds ARG97, PHE98, LEU166, ARG168, GLY169, VAL170, PHE171, ALA172 and 11 more
  • 4IVM · Structure of human protoporphyrinogen IX OXIDASE(R59G) · ACJ B501 · binds ARG62, ARG97, PHE98, ARG168, GLY169, VAL170, PHE171, ALA172 and 11 more
  • 4IVO · Structure of human protoporphyrinogen IX OXIDASE(R59Q) · ACJ B501 · binds ARG62, ARG97, PHE98, ARG168, GLY169, VAL170, PHE171, ALA172 and 11 more

Residues it binds most

GLY 14, ILE 14, PHE 12, LEU 14, VAL 10, ARG 10, ALA 10, MET 14, TYR 8, HIS 6 (residue and the binding sites it lines).

Found with

  • FAD · Flavin-adenine dinucleotide
  • GOL · Glycerol
  • TWN · (3S)-3-[(2S,3S,4R)-3,4-dimethyltetrahydrofuran-2-yl]butyl laurate
  • PO4 · Phosphate ion

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