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Ligand · CLS

CLS · Cephalothin

CLS, Cephalothin (C16 H16 N2 O6 S2, 396.4 g/mol), in the MolNFT structures on GenesisL1: bound in 6 records (3 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and the ligands found with it.

Component
CLS
Formula
C16 H16 N2 O6 S2
Class
ligand
Structures
6
PDB entries
3

Binding sites

CLS in 6 structures; the first of them:

  • 1KVL · X-ray Crystal Structure of AmpC S64G Mutant beta-Lactamase in Complex with Substrate and… · CLS A371 · binds GLY63, GLY64, LYS67, LEU119, GLN120, TYR150, ASN152, VAL211 and 11 more
  • 2ZQ9 · Cephalothin acyl-intermediate structure of class a beta-lactamase Toho-1… · CLS A11 · binds GLU273, ASN274, ARG275, ASN276, ASP277, ILE278
  • 4KOX · Crystal structure of a GNAT superfamily acetyltransferase PA4794 in complex with Cefalotin · CLS A205 · binds PHE27, TYR28, CYS29, TYR30, PRO31, ARG49, TYR68, LEU78 and 10 more
  • 1KVL · X-ray crystal structure of ampc S64G mutant beta-lactamase in complex with substrate and… · CLS A371 · binds GLY63, GLY64, LYS67, LEU119, GLN120, TYR150, ASN152, VAL211 and 11 more
  • 2ZQ9 · Cephalothin acyl-intermediate structure of class a beta-lactamase toho-1… · CLS A11 · binds GLU273, ASN274, ARG275, ASN276, ASP277, ILE278
  • 4KOX · Crystal structure of a gnat superfamily acetyltransferase PA4794 in complex with cefalotin · CLS A205 · binds PHE27, TYR28, CYS29, TYR30, PRO31, ARG49, TYR68, LEU78 and 10 more

Residues it binds most

ASN 6, TYR 4, GLY 4, ARG 4, ILE 6, LEU 4, ALA 2, LYS 2, PHE 2, THR 2 (residue and the binding sites it lines).

Found with

  • SO4 · Sulfate ion
  • CEO · 5-methylene-2-[2-oxo-1-(2-thiophen-2-yl-acetylamino)-ethyl]-5,6-dihydro-2H-[1,3]thiazine-4-carboxylic acid
  • KCP · 2-[carboxy-(2-thiophen-2-yl-acetylamino)-methyl]-5-methyl-3,6-dihydro-2H-[1,3]thiazine-4-carboxylic acid
  • SPA · Thiopheneacetic acid
  • THN · 2-[carboxy-(2-thiophen-2-yl-acetylamino)-methyl]-5-methylene-5,6-dihydro-2H-[1,3]thiazine-4-carboxylic acid
  • PO4 · Phosphate ion
  • EDO · 1,2-ethanediol

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