Ligand · 970
970 · (2r,6as,12as)-8,9-dimethoxy-2-(prop-1-en-2-yl)-1,2,12, 12A-tetrahydrofuro[2',3':7,8][1]benzopyrano[2,3-c][1]benzopyran-6(6ah)-one
970, (2r,6as,12as)-8,9-dimethoxy-2-(prop-1-en-2-yl)-1,2,12, 12A-tetrahydrofuro[2',3':7,8][1]benzopyrano[2,3-c][1]benzopyran-6(6ah)-one (C23 H22 O6, 394.4 g/mol), in the MolNFT structures on GenesisL1: bound in 9 records (8 PDB entries).…
- Component
- 970
- Formula
- C23 H22 O6
- Class
- ligand
- Structures
- 9
- PDB entries
- 8
Binding sites
970 in 9 structures; the first of them:
- 6ZKL · Complex I inhibited by rote , open1 · 970 6501 · binds PRO56, HIS59, GLY60, TYR108, VAL109, MET152, THR156, LEU159 and 15 more
- 7VYF · Matrix arm of active state CI from Rote dataset · 970 C302 · binds THR66, GLY68, LEU69, ALA73, MET77, PHE93, PRO89, HIS92 and 6 more
- 6ZKK · Complex I inhibited by rotenone, closed · 970 4501 · binds PRO56, HIS59, GLY60, TYR108, MET152, THR156, LEU159, PHE167 and 10 more
- 6ZKL · Complex I inhibited by rotenone, OPEN1 · 970 6501 · binds PRO56, HIS59, GLY60, TYR108, MET152, THR156, LEU159, PHE167 and 9 more
- 6ZKM · Complex I inhibited by rotenone, OPEN2 · 970 6501 · binds PRO56, HIS59, GLY60, TYR108, MET152, THR156, LEU159, PHE167 and 11 more
- 6ZKN · Complex I inhibited by rotenone, OPEN3 · 970 6501 · binds PRO56, HIS59, GLY60, TYR108, MET152, THR156, LEU159, PHE167 and 11 more
- 7V31 · Active state complex I from rotenone dataset · 970 C303 · binds GLY68, ALA73, MET76, MET77, PHE93, PRO89, HIS92, GLY93 and 5 more
- 7V33 · Active state complex I from rotenone-NADH dataset · 970 Q501 · binds GLY68, LEU69, ALA73, MET77, PHE93, PRO89, HIS92, GLY93 and 7 more
- 7VBZ · Matrix arm of active state ci from rotenone-NADH dataset · 970 Q501 · binds GLY68, LEU69, ALA73, MET77, PHE93, PRO89, HIS92, GLY93 and 7 more
Residues it binds most
PHE 15, ALA 15, LEU 15, MET 12, THR 15, GLY 11, TYR 10, ARG 6, PRO 13, VAL 11 (residue and the binding sites it lines).
Found with
- CDL · Cardiolipin
- FES · Fe2/s2 (inorganic) cluster
- FMN · Flavin mononucleotide
- NDP · Nadph dihydro-nicotinamide-adenine-dinucleotide phosphate
- SF4 · Iron/sulfur cluster
- ZN · Zinc ion
- NAI · 1,4-dihydronicotinamide adenine dinucleotide
- 3PE · 1,2-diacyl-sn-glycero-3-phosphoethanolamine
- AMP · Adenosine monophosphate
- MYR · Myristic acid
- PC1 · 1,2-diacyl-sn-glycero-3-phosphocholine
- ZMP · S-[2-({N-[(2S)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy) butanoyl]-beta-alanyl}amino)ethyl] tetradecanethioate
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