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Ligand · PJB

PJB · 2-[[[3-(5-methoxy-2-oxidanyl-phenyl)-5-sulfanylidene-1~{H}-1,2,4-triazol-4-yl]amino]methyl]benzoic acid

PJB, 2-[[[3-(5-methoxy-2-oxidanyl-phenyl)-5-sulfanylidene-1~{H}-1,2,4-triazol-4-yl]amino]methyl]benzoic acid (C17 H16 N4 O4 S, 372.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with…

Component
PJB
Formula
C17 H16 N4 O4 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

PJB in 2 structures; the first of them:

  • 6YRP · Crystal Structure of the VIM-2 Acquired Metallo-beta-Lactamase in Complex with JMV-4690… · PJB A404 · binds PHE61, TYR67, PRO68, TRP87, HIS116, HIS118, ASP119, ASP120 and 7 more
  • 6YRP · Crystal structure of the vim-2 acquired metallo-beta-lactamase in complex with jmv-4690… · PJB A404 · binds PHE61, TYR67, TRP87, HIS116, HIS118, ASP119, ASP120, HIS196 and 6 more

Residues it binds most

HIS 2, ASP 2, TYR 2, ARG 2, ASN 2, CYS 2, GLY 2, PHE 2, TRP 2, PRO 1 (residue and the binding sites it lines).

Found with

  • ZN · Zinc ion
  • ACT · Acetate ion
  • DMS · Dimethyl sulfoxide
  • EDO · 1,2-ethanediol

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