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Ligand · CEP

CEP · Cephalothin group

CEP, Cephalothin group (C16 H18 N2 O6 S2, 398.4 g/mol), in the MolNFT structures on GenesisL1: bound in 8 records (4 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and the ligands found with it.

Component
CEP
Formula
C16 H18 N2 O6 S2
Class
ligand
Structures
8
PDB entries
4

Binding sites

CEP in 8 structures; the first of them:

  • 1CEG · Cephalothin complexed with dd-peptidase · CEP A400 · binds GLY61, SER62, LYS65, THR116, PHE120, TYR159, ASN161, TRP233 and 4 more
  • 1IYP · Toho-1 beta-Lactamase In Complex With Cephalothin · CEP A301 · binds CYS69, SER70, ASN104, TYR105, TYR129, SER130, ASN132, PRO167 and 9 more
  • 4IVK · Crystal structure of a fammily VIII carboxylesterase in a complex with cephalothin. · CEP A501 · binds TYR99, SER100, LYS103, TYR172, PHE174, VAL175, PHE190, TYR218 and 9 more
  • 4R0Q · Structure of a putative peptidoglycan glycosyltransferase from Atopobium parvulum in… · CEP A1001 · binds GLY681, SER682, LYS685, HIS718, TYR720, SER737, ASN739, CYS794 and 7 more
  • 1CEG · Cephalothin complexed with dd-peptidase · CEP A400 · binds GLY61, SER62, LYS65, THR116, PHE120, TYR159, ASN161, TRP233 and 4 more
  • 1IYP · Toho-1 beta-lactamase in complex with cephalothin · CEP A301 · binds CYS69, SER70, ASN104, TYR105, TYR129, SER130, ASN132, PRO167 and 9 more
  • 4IVK · Crystal structure of a fammily VIII carboxylesterase in a complex with cephalothin. · CEP A501 · binds TYR99, SER100, LYS103, TYR172, PHE174, VAL175, PHE190, TYR218 and 9 more
  • 4R0Q · Structure of a putative peptidoglycan glycosyltransferase from atopobium parvulum in… · CEP A1001 · binds GLY681, SER682, LYS685, HIS718, TYR720, SER737, ASN739, CYS794 and 7 more

Residues it binds most

GLY 10, THR 8, SER 10, TYR 10, LYS 10, ASN 8, PHE 6, ARG 6, ASP 6, CYS 6 (residue and the binding sites it lines).

Found with

  • SO4 · Sulfate ion
  • SCN · Thiocyanate ion
  • B3P · 2-[3-(2-hydroxy-1,1-dihydroxymethyl-ethylamino)-propylamino]-2-hydroxymethyl-propane-1,3-diol

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