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Ligand · DC1

DC1 · 5,5-dimethylcyclohexane-1,3-dione

DC1, 5,5-dimethylcyclohexane-1,3-dione (C8 H12 O2, 140.2 g/mol), in the MolNFT structures on GenesisL1: bound in 6 records (3 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and the ligands found…

Component
DC1
Formula
C8 H12 O2
Class
ligand
Structures
6
PDB entries
3

Binding sites

DC1 in 6 structures; the first of them:

  • 7DB0 · Crystal structure of Drosophila melanogaster Noppera-bo, glutathione S-transferase… · DC1 A301 · binds ARG13, SER14, PRO15, LEU38, PHE39, PHE110, ASP113, SER114 and 3 more
  • 7DB1 · Crystal structure of Drosophila melanogaster Noppera-bo, glutathione S-transferase… · DC1 A301 · binds ARG13, SER14, PRO15, LEU38, PHE39, PHE110, SER114, MET117 and 3 more
  • 7DB2 · Crystal structure of Drosophila melanogaster Noppera-bo, glutathione S-transferase… · DC1 A301 · binds ARG13, SER14, PRO15, LEU38, PHE39, PHE110, SER114, MET117 and 3 more
  • 7DB0 · Crystal structure of drosophila melanogaster noppera-bo, glutathione S-transferase… · DC1 A301 · binds ARG13, PRO15, PHE39, PHE110, ASP113, SER114, MET117, THR172 and 1 more
  • 7DB1 · Crystal structure of drosophila melanogaster noppera-bo, glutathione S-transferase… · DC1 A301 · binds SER14, LEU38, PHE110, SER114, MET117, SER118
  • 7DB2 · Crystal structure of drosophila melanogaster noppera-bo, glutathione S-transferase… · DC1 A301 · binds SER14, LEU38, PHE110, SER114, MET117, SER118

Residues it binds most

SER 12, PHE 12, MET 12, LEU 12, ARG 8, PRO 8, VAL 5, ASP 4, THR 4 (residue and the binding sites it lines).

Found with

  • DMS · Dimethyl sulfoxide
  • GSH · Glutathione

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