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Ligand · ZXM

ZXM · 1-{(2R)-2-(dihydroxyboranyl)-2-[(thiophen-2-ylacetyl) amino]ethyl}-1H-1,2,3-triazole-4-carboxylic acid

ZXM, 1-{(2R)-2-(dihydroxyboranyl)-2-[(thiophen-2-ylacetyl) amino]ethyl}-1H-1,2,3-triazole-4-carboxylic acid (C11 H13 B N4 O5 S, 324.1 g/mol), in the MolNFT structures on GenesisL1: bound in 5 records (5 PDB entries). Every binding site…

Component
ZXM
Formula
C11 H13 B N4 O5 S
Class
ligand
Structures
5
PDB entries
5

Binding sites

ZXM in 5 structures; the first of them:

  • 5EE8 · Crystal structure of S02030 boronic acid inhibitor complexed to SHV-1 beta-lactamase · ZXM A301 · binds MET69, SER70, LYS73, ASP104, TYR105, SER130, ASN132, GLU166 and 11 more
  • 5EEC · Crystal structure of KPC-2 beta-lactamase in complex with the S02030 boronic acid… · ZXM A301 · binds CYS69, SER70, LYS73, TRP105, SER130, ASN132, GLU166, LEU167 and 10 more
  • 8SDT · Crystal structure of PDC-3 beta-lactamase in complex with the boronic acid inhibitor… · ZXM A402 · binds GLY89, SER90, LYS93, LEU145, GLN146, TYR177, ASN179, VAL239 and 8 more
  • 8SDV · Crystal structure of PDC-3 Y221H beta-lactamase in complex with the boronic acid… · ZXM A402 · binds GLY63, SER64, LYS67, LEU119, GLN120, TYR151, ASN153, HIS223 and 7 more
  • 5ZYB · Crystal structure of mox-1 complexed with a boronic acid transition state inhibitor S02030 · ZXM A401 · binds SER65, GLN121, TYR151, ASN153, TYR223, GLY314, SER315, SER316 and 2 more

Residues it binds most

ASN 6, SER 6, GLY 6, THR 5, LYS 5, LEU 5, TYR 4, CYS 2, GLU 3, ARG 3 (residue and the binding sites it lines).

Found with

  • IMD · Imidazole
  • MA4 · Cyclohexyl-hexyl-beta-D-maltoside
  • ZN · Zinc ion
  • SO4 · Sulfate ion
  • ACT · Acetate ion
  • DMS · Dimethyl sulfoxide

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