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Ligand · WF4

WF4 · 4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxylic acid

WF4, 4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxylic acid (C12 H8 F3 N O2 S, 287.3 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding site with its residues within 4.5 Å, the…

Component
WF4
Formula
C12 H8 F3 N O2 S
Class
ligand
Structures
4
PDB entries
2

Binding sites

WF4 in 4 structures; the first of them:

  • 4WF4 · Crystal structure of E.Coli DsbA co-crystallised in complex with compound 4 · WF4 B201 · binds PHE29, MET64, GLY65, GLY66, LEU68, HIS32, PHE36, LEU40 and 8 more
  • 4WF5 · Crystal structure of E.Coli DsbA soaked with compound 4 · WF4 A201 · binds LEU40, PRO163, GLN164, THR168, ASN170, MET171, PHE174, GLY65 and 1 more
  • 4WF4 · Crystal structure of E.COLI dsba co-crystallised in complex with compound 4 · WF4 B201 · binds PHE29, MET64, GLY65, GLY66, LEU68, HIS32, PHE36, LEU40 and 8 more
  • 4WF5 · Crystal structure of E.COLI dsba soaked with compound 4 · WF4 A201 · binds LEU40, PRO163, GLN164, THR168, ASN170, MET171, PHE174, GLY65 and 1 more

Residues it binds most

GLY 6, PHE 6, PRO 6, LEU 6, MET 6, GLN 6, ASN 4, HIS 4, THR 4, VAL 2 (residue and the binding sites it lines).

Found with

  • EDO · 1,2-ethanediol
  • CU · Copper (II) ion
  • GOL · Glycerol

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