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Ligand · CEO

CEO · 5-methylene-2-[2-oxo-1-(2-thiophen-2-yl-acetylamino)-ethyl]-5,6-dihydro-2H-[1,3]thiazine-4-carboxylic acid

CEO, 5-methylene-2-[2-oxo-1-(2-thiophen-2-yl-acetylamino)-ethyl]-5,6-dihydro-2H-[1,3]thiazine-4-carboxylic acid (C14 H14 N2 O4 S2, 338.4 g/mol), in the MolNFT structures on GenesisL1: bound in 5 records (3 PDB entries). Every binding site…

Component
CEO
Formula
C14 H14 N2 O4 S2
Class
ligand
Structures
5
PDB entries
3

Binding sites

CEO in 5 structures; the first of them:

  • 1KVM · X-ray Crystal Structure of AmpC WT beta-Lactamase in Complex with Covalently Bound… · CEO B864 · binds SER64, LYS67, LEU119, GLN120, TYR150, ASN152, VAL211, TYR221 and 9 more
  • 2ZQ9 · Cephalothin acyl-intermediate structure of class a beta-lactamase Toho-1… · CEO A301 · binds CYS69, SER70, LYS73, ASN104, TYR105, SER130, ASN132, PRO167 and 8 more
  • 8AKJ · Acyl-enzyme complex of cephalothin bound to deacylation mutant KPC-2 (E166Q) · CEO A305 · binds CYS69, SER70, LYS73, TRP105, SER130, ASN132, LEU167, ASN170 and 8 more
  • 1KVM · X-ray crystal structure of ampc wt beta-lactamase in complex with covalently bound… · CEO B864 · binds SER64, LYS67, LEU119, GLN120, TYR150, ASN152, VAL211, TYR221 and 9 more
  • 2ZQ9 · Cephalothin acyl-intermediate structure of class a beta-lactamase toho-1… · CEO A301 · binds CYS69, SER70, LYS73, ASN104, TYR105, SER130, ASN132, PRO167 and 8 more

Residues it binds most

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

Found with

  • SO4 · Sulfate ion
  • CLS · Cephalothin
  • SPA · Thiopheneacetic acid
  • PO4 · Phosphate ion
  • GOL · Glycerol

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