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Ligand · PQH

PQH · 2-methyl-5-(trifluoromethyl)-1~{H}-pyrrole-3-carboxylic acid

PQH, 2-methyl-5-(trifluoromethyl)-1~{H}-pyrrole-3-carboxylic acid (C7 H6 F3 N O2, 193.1 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…

Component
PQH
Formula
C7 H6 F3 N O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

PQH in 2 structures; the first of them:

  • 6YUY · Structure of the wnt deacylase notum in complex with a pyrrole-3-carboxylic acid fragment… · PQH A518 · binds TRP128, TYR129, VAL187, SER232, ALA233, THR236, GLY266, PHE268 and 5 more
  • 6YUY · Structure of the wnt deacylase notum in complex with a pyrrole-3- carboxylic acid… · PQH A518 · binds TRP128, TYR129, VAL187, SER232, ALA233, THR236, PHE268, ILE291 and 3 more

Residues it binds most

PHE 2, ALA 2, VAL 2, ILE 2, SER 2, THR 2, TRP 2, TYR 2, GLY 1 (residue and the binding sites it lines).

Found with

  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose
  • SO4 · Sulfate ion
  • DMS · Dimethyl sulfoxide

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