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Ligand · G56

G56 · (2S)-3-phenyl-2-[2-[4-(trifluoromethyloxy) phenoxy]ethanoylamino]propanoic acid

G56, (2S)-3-phenyl-2-[2-[4-(trifluoromethyloxy) phenoxy]ethanoylamino]propanoic acid (C18 H16 F3 N O5, 383.3 g/mol), in the MolNFT structures on GenesisL1: bound in 3 records (2 PDB entries). Every binding site with its residues within 4.5…

Component
G56
Formula
C18 H16 F3 N O5
Class
ligand
Structures
3
PDB entries
2

Binding sites

G56 in 3 structures; the first of them:

  • 7CZI · Structure of the CYP102A1 Haem Domain with N-{2-[4-(Trifluoromethoxy)phenoxy]}acetoyl-L-Ph… · G56 A502 · binds LEU17, LEU20, VAL26, LEU29, PHE42, ALA44, ARG47, THR49 and 14 more
  • 7CON · Structure of the CYP102A1 haem domain with N-{2-[4-(trifluoromethoxy)… · G56 A503 · binds LEU20, VAL26, LEU29, PHE42, ALA44, ARG47, TYR51, SER72 and 11 more
  • 7CZI · Structure of the CYP102A1 haem domain with N-{2-[4-(trifluoromethoxy)… · G56 A502 · binds LEU20, VAL26, LEU29, PHE42, ALA44, ARG47, TYR51, SER72 and 11 more

Residues it binds most

LEU 6, ALA 6, MET 6, PHE 6, ARG 6, GLN 6, PRO 6, SER 6, TYR 6, VAL 6 (residue and the binding sites it lines).

Found with

  • HEM · Protoporphyrin IX containing Fe
  • GOL · Glycerol
  • DMS · Dimethyl sulfoxide
  • 3CN · 3-aminopropane

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