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Ligand · YHQ

YHQ · 5'-O-{(R)-hydroxy[(propan-2-yl)oxy]phosphoryl}adenosine

YHQ, 5'-O-{(R)-hydroxy[(propan-2-yl)oxy]phosphoryl}adenosine (C13 H20 N5 O7 P, 389.3 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
YHQ
Formula
C13 H20 N5 O7 P
Class
ligand
Structures
3
PDB entries
3

Binding sites

YHQ in 3 structures; the first of them:

  • 8G0U · Crystal Structure of Acetyl-CoA synthetase in complex with an isopropyl ester AMP… · YHQ A803 · binds TRP334, ILE335, THR336, SER410, VAL411, GLY412, GLU413, PRO414 and 11 more
  • 8W0D · Crystal structure of Acetyl-CoA synthetase 2 from Candida albicans in complex with an… · YHQ A702 · binds ILE340, THR341, VAL416, GLY417, GLU418, PRO419, ASP441, THR442 and 11 more
  • 8W0H · Crystal structure of Acetyl-CoA synthetase 2 from Candida albicans in complex with an… · YHQ A702 · binds ILE340, THR341, VAL416, GLY417, GLU418, PRO419, ASP441, THR442 and 11 more

Residues it binds most

THR 9, ASP 9, ILE 9, ARG 8, GLY 9, GLU 9, TRP 9, PRO 9, TYR 9, VAL 9 (residue and the binding sites it lines).

Found with

  • CL · Chloride ion
  • SO4 · Sulfate ion
  • NA · Sodium ion
  • EDO · 1,2-ethanediol
  • GOL · Glycerol
  • PG4 · Tetraethylene glycol
  • PGE · Triethylene glycol

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