GL1X · GenesisL1 explorer

Ligand · 3VV

3VV · S-{(3R,5R,9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3, 5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2, 4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} (9Z)-octadec-9-enethioate (non-preferred name)

3VV, S-{(3R,5R,9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3, 5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2, 4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl}…

Component
3VV
Formula
C39 H68 N7 O17 P3 S
Class
ligand
Structures
10
PDB entries
8

Binding sites

3VV in 10 structures; the first of them:

  • 6P2J · Dimeric structure of ACAT1 · 3VV A700 · binds LEU377, TRP407, TYR413, SER414, ASN415, TYR417, THR419, TRP420 and 15 more
  • 6WF2 · Crystal structure of mouse SCD1 with a diiron center · 3VV A403 · binds VAL68, ASN71, MET75, TYR104, ALA108, ILE111, THR112, HIS116 and 31 more
  • 8FHI · Wildtype rabbit TRPV5 in nanodiscs in complex with oleoyl coenzyme A, Open stated · 3VV A803 · binds PHE416, GLY417, THR419, PRO424, VAL427, ILE428, THR431, GLN483 and 6 more
  • 6P2J · Dimeric structure of ACAT1 · 3VV A700 · binds LEU377, TRP407, TYR413, SER414, ASN415, TYR417, TRP420, ASN421 and 11 more
  • 6P2P · Tetrameric structure of ACAT1 · 3VV A700 · binds LEU377, TRP407, TYR413, SER414, ASN415, TRP420, HIS425, LEU428 and 7 more
  • 6VP0 · Human diacylglycerol acyltransferase 1 in complex with oleoyl-CoA · 3VV C605 · binds TRP334, PHE338, TRP364, THR371, PHE373, TRP374, GLN375, TRP377 and 9 more
  • 6VUM · Structure of nevanimibe-bound human tetrameric ACAT1 · 3VV B702 · binds TYR413, TYR417, ARG418, HIS425, TYR429, TYR433, MET449, VAL452 and 10 more
  • 6VZ1 · Cryo-EM structure of human diacylglycerol O-acyltransferase 1 complexed with acyl-CoA… · 3VV A503 · binds LEU195, TRP374, GLN375, VAL381, HIS382, ILE386, TYR390, ARG404 and 7 more
  • 6WF2 · Crystal structure of mouse SCD1 with a diiron center · 3VV A403 · binds ASN71, ALA108, ILE111, THR112, HIS116, PHE142, GLN143, ASN144 and 24 more
  • 7SHN · Cryo-EM structure of oleoyl-CoA-bound human peroxisomal fatty acid transporter ABCD1 · 3VV A800 · binds SER226, LEU229, LEU230, ALA232, ALA233, SER235, SER244, MET335 and 19 more

Residues it binds most

VAL 23, TYR 18, PHE 20, TRP 18, HIS 18, LEU 18, SER 16, ASN 13, THR 16, LYS 21 (residue and the binding sites it lines).

Found with

  • POV · (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate
  • FE · Fe (III) ion
  • 6OU · [(2~{R})-1-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-3-hexadecanoyloxy-propan-2-yl] (~{Z})-octadec-9-enoate
  • AV0 · 2-decyl-2-{[(4-O-alpha-D-glucopyranosyl-beta-D-glucopyranosyl)oxy]methyl}dodecyl 4-O-alpha-D-glucopyranosyl-beta-D-glucopyranoside
  • CLR · Cholesterol
  • COA · Coenzyme A
  • ERG · Ergosterol
  • OLA · Oleic acid
  • ROV · Nevanimibe

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