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Ligand · RHU

RHU · 4-methyl-5-(trifluoromethyl)-1,2,4-triazole-3-thiol

RHU, 4-methyl-5-(trifluoromethyl)-1,2,4-triazole-3-thiol (C4 H4 F3 N3 S, 183.2 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 most…

Component
RHU
Formula
C4 H4 F3 N3 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

RHU in 2 structures; the first of them:

  • 5ACW · VIM-2-1, Discovery of novel inhibitor scaffolds against the metallo- beta-lactamase VIM-2… · RHU A1298 · binds TRP87, HIS116, HIS118, ASP119, ASP120, HIS196, OCS221, HIS263
  • 5ACW · Vim-2-1, discovery of novel inhibitor scaffolds against the metallo- beta-lactamase vim-2… · RHU A1298 · binds TRP87, HIS116, HIS118, ASP119, ASP120, HIS196, OCS221, HIS263

Residues it binds most

HIS 8, ASP 4, ALA 4, OCS 4, THR 4, TRP 4, TYR 4, ASN 2, PHE 2 (residue and the binding sites it lines).

Found with

  • ZN · Zinc ion
  • CL · Chloride ion
  • OH · Hydroxide ion

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