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Ligand · 8YL

8YL · (2S,3R)-2-[(2S,3R)-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-4-[(3S,5S)-5-(dimethylcarbamoyl) pyrrolidin-3-yl]sulfan yl-3-methyl-2,3-dihydro-1H-pyrrole-5-carboxylic acid

8YL, (2S,3R)-2-[(2S,3R)-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-4-[(3S,5S)-5-(dimethylcarbamoyl) pyrrolidin-3-yl]sulfan yl-3-methyl-2,3-dihydro-1H-pyrrole-5-carboxylic acid (C17 H27 N3 O6 S, 401.5 g/mol), in the MolNFT structures on…

Component
8YL
Formula
C17 H27 N3 O6 S
Class
ligand
Structures
3
PDB entries
2

Binding sites

8YL in 3 structures; the first of them:

  • 5N0H · Crystal structure of NDM-1 in complex with hydrolyzed meropenem - new refinement · 8YL A301 · binds VAL73, TRP93, HIS120, HIS122, GLN123, ASP124, HIS189, CYS208 and 5 more
  • 6ZW2 · Crystal structure of OXA-10loop48 in complex with hydrolyzed meropenem · 8YL A402 · binds SER67, KCX70, MET99, TRP102, SER115, VAL117, LEU155, LYS205 and 5 more
  • 6ZW2 · Crystal structure of oxa-10LOOP48 in complex with hydrolyzed meropenem · 8YL A402 · binds SER67, KCX70, TRP102, SER115, VAL117, LEU155, LYS205, THR206 and 3 more

Residues it binds most

SER 4, ARG 4, LEU 5, THR 4, GLY 5, LYS 5, HIS 1, KCX 4, TRP 4, TYR 4 (residue and the binding sites it lines).

Found with

  • SO4 · Sulfate ion
  • CL · Chloride ion
  • EDO · 1,2-ethanediol
  • ZN · Zinc ion
  • GOL · Glycerol

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