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Ligand · 9J9

9J9 · (6R)-4-hydroxy-6-methyl-3-(propan-2-yl)cyclohexa-2,4-dien-1-one

9J9, (6R)-4-hydroxy-6-methyl-3-(propan-2-yl)cyclohexa-2,4-dien-1-one (C10 H14 O2, 166.2 g/mol), in the MolNFT structures on GenesisL1: bound in 1 record (1 PDB entry). Every binding site with its residues within 4.5 Å, the residues it…

Component
9J9
Formula
C10 H14 O2
Class
ligand
Structures
1
PDB entries
1

Binding sites

9J9 in 1 structure; the first of them:

  • 7SJG · Structure of Dehaloperoxidase B in Complex with Thymoqui · 9J9 A205 · binds PHE21, PHE35, TYR38, HIS55, THR56, VAL59

Residues it binds most

PHE 2, ASP 2, HIS 2, THR 2, TYR 2, VAL 2, ARG 1, GLN 1, LYS 1, PRO 1 (residue and the binding sites it lines).

Found with

  • 9IX · 2-methyl-5-(propan-2-yl)benzene-1,4-diol
  • HEM · Protoporphyrin IX containing Fe
  • SO4 · Sulfate ion
  • GOL · Glycerol

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