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Ligand · A1AQC

A1AQC · (2,3-dihydro-1-benzofuran-5-yl)methanol

A1AQC, (2,3-dihydro-1-benzofuran-5-yl)methanol (C9 H10 O2, 150.2 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
A1AQC
Formula
C9 H10 O2
Class
ligand
Structures
2
PDB entries
2

Binding sites

A1AQC in 2 structures; the first of them:

  • 7H7T · Group deposition for crystallographic fragment screening of Chikungunya virus nsP3… · A1AQC A209 · binds MET9, ASP10, ILE11, GLY32, VAL33, ALA36, TYR142, CYS143 and 1 more
  • 9E0B · Structure of proline utilization A complexed with (2,3-dihydro-1-benzofuran-5-yl)methanol · A1AQC A1304 · binds LYS265, ASP306, ALA307, ARG367, ALA372, TYR373, LEU449, TYR473 and 2 more

Residues it binds most

ARG 8, ASP 8, TYR 6, ALA 4, CYS 6, MET 6, GLY 3, ILE 3, VAL 3, LEU 2 (residue and the binding sites it lines).

Found with

  • FAD · Flavin-adenine dinucleotide
  • NAD · Nicotinamide-adenine-dinucleotide
  • MG · Magnesium ion
  • CL · Chloride ion
  • SO4 · Sulfate ion
  • 1PE · Pentaethylene glycol
  • DMS · Dimethyl sulfoxide
  • FMT · Formic acid
  • PEG · Di(hydroxyethyl)ether
  • PGE · Triethylene glycol
  • TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol

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