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Ligand · GV9

GV9 · 3-(acetylamino)thiophene-2-carboxylic acid

GV9, 3-(acetylamino)thiophene-2-carboxylic acid (C7 H7 N O3 S, 185.2 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (2 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and the…

Component
GV9
Formula
C7 H7 N O3 S
Class
ligand
Structures
2
PDB entries
2

Binding sites

GV9 in 2 structures; the first of them:

  • 3GV9 · AmpC beta-lactamase in complex with Fragment-based Inhibitor · GV9 A1 · binds SER64, LEU119, GLN120, ASN152, TYR221, ASN289, LEU293, THR316 and 2 more
  • 8AKC · Human Sirt6 in complex with ADP-ribose and fragment 3-(acetylamino)thiophene-2-carboxylic… · GV9 A408 · binds ILE61, PRO62, PHE64, VAL70, PHE82, PHE86, VAL115, MET136 and 1 more

Residues it binds most

LEU 3, PHE 2, GLY 4, VAL 3, ASN 2, MET 2, SER 3, ALA 3, LYS 2, PRO 3 (residue and the binding sites it lines).

Found with

  • PEG · Di(hydroxyethyl)ether
  • AR6 · [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl [hydroxy-[[(2R,3S,4R,5S)-3,4,5-trihydroxyoxolan-2-yl]methoxy]phosphoryl] hydrogen phosphate
  • ZN · Zinc ion
  • CL · Chloride ion
  • PO4 · Phosphate ion
  • SO4 · Sulfate ion
  • DMS · Dimethyl sulfoxide

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