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Ligand · IMW

IMW · 2-methyl-5-(1-methylethyl)cyclohexa-2,5-diene-1,4-dione

IMW, 2-methyl-5-(1-methylethyl)cyclohexa-2,5-diene-1,4-dione (C10 H12 O2, 164.2 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5 Å, the residues it binds most…

Component
IMW
Formula
C10 H12 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

IMW in 2 structures; the first of them:

  • 4HCO · Human Plk1-PBD in complex with Thymoqui at the phophopeptide binding site · IMW A702 · binds SER412, LEU491, LYS492, ALA493, HIS538, LYS540, ARG557
  • 4HCO · Human PLK1-pbd in complex with thymoquinone at the phophopeptide binding site · IMW A702 · binds SER412, LEU491, LYS492, ALA493, HIS538, LYS540, ARG557

Residues it binds most

LYS 2, ALA 2, ARG 2, HIS 2, LEU 2, SER 2 (residue and the binding sites it lines).

Found with

  • GOL · Glycerol

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