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Ligand · C8Y

C8Y · (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carbonitrile

C8Y, (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carbonitrile (C7 H11 N3 O5 S, 249.2 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (4 PDB entries). Every binding site with its residues within 4.5 Å, the residues it…

Component
C8Y
Formula
C7 H11 N3 O5 S
Class
ligand
Structures
4
PDB entries
4

Binding sites

C8Y in 4 structures; the first of them:

  • 6B1F · Crystal structure kpc-2 beta-lactamase complexed with wck 4234 by soaking · C8Y A301 · binds CYS68, SER69, LYS72, TRP104, SER129, ASN131, LEU166, ASN169 and 5 more
  • 6B1H · Crystal structure kpc-2 beta-lactamase complexed with wck 4234 by co- crystallization · C8Y A301 · binds CYS69, SER70, LYS73, TRP105, SER130, ASN132, LEU167, ASN170 and 5 more
  • 6B22 · Crystal structure oxa-24 beta-lactamase complexed with wck 4234 by co- crystallization · C8Y A301 · binds ALA80, SER81, TRP115, SER128, VAL130, LYS218, SER219, GLY220 and 3 more
  • 7KIT · Crystal structure of pseudomonas aeruginosa PBP3 in complex with wck 4234 · C8Y A601 · binds GLY293, SER294, LYS297, VAL333, SER349, ASN351, TYR409, LYS484 and 5 more

Residues it binds most

SER 6, THR 5, LYS 6, ASN 5, GLY 6, TRP 5, CYS 4, LEU 3, VAL 2, ALA 1 (residue and the binding sites it lines).

Found with

  • CL · Chloride ion
  • SO4 · Sulfate ion
  • ACT · Acetate ion
  • CIT · Citric acid
  • EDO · 1,2-ethanediol

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