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Ligand · 3H1

3H1 · 3-chloro-4,6-dihydroxy-2-methyl-5-{(2E,4E)-3-methyl-5-[(1R,2R,6R)-1,2,6-trimethyl-3-oxocyclohexyl]penta-2,4-dien-1-yl}benzaldehyde

3H1, 3-chloro-4,6-dihydroxy-2-methyl-5-{(2E,4E)-3-methyl-5-[(1R,2R,6R)-1,2,6-trimethyl-3-oxocyclohexyl]penta-2,4-dien-1-yl}benzaldehyde (C23 H29 Cl O4, 404.9 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry).…

Component
3H1
Formula
C23 H29 Cl O4
Class
ligand
Structures
2
PDB entries
1

Binding sites

3H1 in 2 structures; the first of them:

  • 3H1L · Chicken cytochrome BC1 complex with ascochlorin bound at QO and QI sites · 3H1 C2001 · binds LEU122, MET125, ALA126, PHE129, TYR132, TRP142, GLY143, VAL146 and 11 more
  • 3H1L · Chicken cytochrome BC1 complex with ascochlorin bound at qo and qi sites · 3H1 C2001 · binds LEU122, MET125, ALA126, PHE129, TYR132, TRP142, GLY143, VAL146 and 11 more

Residues it binds most

LEU 8, ILE 8, ALA 8, PHE 8, TYR 8, HIS 8, SER 4, VAL 8, CYS 4, TRP 6 (residue and the binding sites it lines).

Found with

  • CDL · Cardiolipin
  • FES · Fe2/s2 (inorganic) cluster
  • HEC · Heme C
  • HEM · Protoporphyrin IX containing Fe
  • PEE · 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine
  • UNL · Unknown ligand
  • BOG · octyl beta-D-glucopyranoside
  • GOL · Glycerol

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