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Ligand · 88I

88I · (3~{S},5~{S})-5-methyl-3-[(13~{R})-13-oxidanyl-13-[(2~{R},5~{R})-5-[(2~{R},5~{R})-5-[(1~{R})-1-oxidanylundecyl]oxolan-2-yl]oxolan-2-yl]tridecyl]oxolan-2-one

88I, (3~{S},5~{S})-5-methyl-3-[(13~{R})-13-oxidanyl-13-[(2~{R},5~{R})-5-[(2~{R},5~{R})-5-[(1~{R})-1-oxidanylundecyl]oxolan-2-yl]oxolan-2-yl]tridecyl]oxolan-2-one (C37 H68 O6, 608.9 g/mol), in the MolNFT structures on GenesisL1: bound in 1…

Component
88I
Formula
C37 H68 O6
Class
ligand
Structures
1
PDB entries
1

Binding sites

88I in 1 structure; the first of them:

  • 7PSA · The acetogenin-bound complex I of Mus musculus resolved to 3.4 angstroms · 88I H402 · binds TRP56, GLY61, ALA66, VAL67, MET69, MET70, ALA73, PHE86 and 22 more

Residues it binds most

MET 1, PHE 1, ALA 1, LEU 1, VAL 1, ARG 1, GLU 1, GLY 1, TYR 1, ASP 1 (residue and the binding sites it lines).

Found with

  • 3PE · 1,2-diacyl-sn-glycero-3-phosphoethanolamine
  • ATP · Adenosine-5'-triphosphate
  • CDL · Cardiolipin
  • EHZ · ~{S}-[2-[3-[[(2~{R})-3,3-dimethyl-2-oxidanyl-4-phosphonooxy-butanoyl]amino]propanoylamino]ethyl] (3~{S})-3-oxidanyltetradecanethioate
  • FES · Fe2/s2 (inorganic) cluster
  • FMN · Flavin mononucleotide
  • NDP · Nadph dihydro-nicotinamide-adenine-dinucleotide phosphate
  • PC1 · 1,2-diacyl-sn-glycero-3-phosphocholine
  • SF4 · Iron/sulfur cluster
  • ZN · Zinc ion

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