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Ligand · WY4

WY4 · 7-(5,6-dihydro-8H-imidazo[2,1-c][1,4]oxazin-2-yl)-6-formyl-2,7-dihydro- [1,4]thiazepine-3-carboxylic acid

WY4, 7-(5,6-dihydro-8H-imidazo[2,1-c][1,4]oxazin-2-yl)-6-formyl-2,7-dihydro- [1,4]thiazepine-3-carboxylic acid (C13 H13 N3 O4 S, 307.3 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding site…

Component
WY4
Formula
C13 H13 N3 O4 S
Class
ligand
Structures
4
PDB entries
2

Binding sites

WY4 in 4 structures; the first of them:

  • 1ONG · SHV-1 beta-lactamase with a penem inhibitor · WY4 A400 · binds MET69, SER70, LYS73, ASP104, TYR105, MET129, SER130, ASN132 and 7 more
  • 1ONH · GC1 beta-lactamase with a penem inhibitor · WY4 A400 · binds GLY63, SER64, LYS67, LEU119, GLN120, TYR150, ASN152, THR319 and 4 more
  • 1ONG · Shv-1 beta-lactamase with a penem inhibitor · WY4 A400 · binds MET69, SER70, LYS73, ASP104, TYR105, MET129, SER130, ASN132 and 7 more
  • 1ONH · GC1 beta-lactamase with a penem inhibitor · WY4 A400 · binds GLY63, SER64, LYS67, LEU119, GLN120, TYR150, ASN152, THR319 and 4 more

Residues it binds most

GLY 4, SER 4, THR 4, ASN 4, LYS 4, MET 2, TYR 4, ALA 2, ASP 2, GLN 2 (residue and the binding sites it lines).

Found with

  • MA4 · Cyclohexyl-hexyl-beta-D-maltoside
  • GOL · Glycerol

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