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Ligand · YHT

YHT · 5'-O-{(S)-hydroxy[(prop-2-yn-1-yl)oxy]phosphoryl}adenosine

YHT, 5'-O-{(S)-hydroxy[(prop-2-yn-1-yl)oxy]phosphoryl}adenosine (C13 H16 N5 O7 P, 385.3 g/mol), in the MolNFT structures on GenesisL1: bound in 3 records (3 PDB entries). Every binding site with its residues within 4.5 Å, the residues it…

Component
YHT
Formula
C13 H16 N5 O7 P
Class
ligand
Structures
3
PDB entries
3

Binding sites

YHT in 3 structures; the first of them:

  • 8G0V · Crystal Structure of Acetyl-CoA synthetase in complex with a propyne ester AMP inhibitor… · YHT A702 · binds TRP334, ILE335, VAL411, GLY412, GLU413, PRO414, ASP436, THR437 and 7 more
  • 8W0J · Crystal structure of Acetyl-CoA synthetase 2 from Candida albicans in complex with a… · YHT A701 · binds ILE340, THR341, VAL416, GLY417, GLU418, PRO419, ASP441, THR442 and 11 more
  • 8W0L · Crystal structure of Acetyl-CoA synthetase 2 from Candida albicans in complex with a… · YHT A701 · binds ILE340, VAL416, GLY417, GLU418, PRO419, ASP441, THR442, TYR443 and 10 more

Residues it binds most

THR 9, ASP 9, ILE 9, GLU 9, ARG 9, TRP 9, GLY 9, PRO 9, TYR 9, VAL 9 (residue and the binding sites it lines).

Found with

  • CL · Chloride ion
  • SO4 · Sulfate ion
  • GOL · Glycerol
  • PGE · Triethylene glycol
  • COA · Coenzyme A
  • PO4 · Phosphate ion
  • EDO · 1,2-ethanediol

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