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Ligand · 8CM

8CM · 8-hydroxycoumarin

8CM, 8-hydroxycoumarin (C9 H6 O3, 162.1 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 with it.

Component
8CM
Formula
C9 H6 O3
Class
ligand
Structures
6
PDB entries
3

Binding sites

8CM in 6 structures; the first of them:

  • 2H8Z · Xenobiotic Reductase A in complex with 8-Hydroxycoumarin · 8CM A801 · binds CYS25, TYR27, ILE66, HIS178, HIS181, TYR183, PHE269
  • 4UTJ · XenA - oxidized - Y183F variant in complex with 8-hydroxycoumarin · 8CM A1363 · binds CYS25, TYR27, ILE66, HIS178, HIS181, PHE183, PHE269
  • 4UTM · XenA - Reduced - Y183F variant in complex with 8-hydroxycoumarin · 8CM A1363 · binds CYS25, TYR27, ILE66, HIS178, HIS181, PHE183
  • 2H8Z · Xenobiotic reductase a in complex with 8-hydroxycoumarin · 8CM A801 · binds CYS25, TYR27, ILE66, HIS178, HIS181, TYR183, PHE269
  • 4UTJ · Xena - oxidized - Y183F variant in complex with 8-hydroxycoumarin · 8CM A1363 · binds CYS25, TYR27, ILE66, HIS178, HIS181, PHE183, PHE269
  • 4UTM · Xena - reduced - Y183F variant in complex with 8-hydroxycoumarin · 8CM A1363 · binds CYS25, TYR27, ILE66, HIS178, HIS181, PHE183

Residues it binds most

HIS 6, PHE 6, TYR 6, CYS 6, ILE 6, GLU 4, PRO 4, TRP 4, ARG 2, ASN 2 (residue and the binding sites it lines).

Found with

  • SO4 · Sulfate ion
  • FMN · Flavin mononucleotide
  • FNR · 1-deoxy-1-(7,8-dimethyl-2,4-dioxo-3,4-dihydro-2H-benzo[g]pteridin-1-id-10(5H)-yl)-5-O-phosphonato-D-ribitol

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