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Ligand · AV0

AV0 · 2-decyl-2-{[(4-O-alpha-D-glucopyranosyl-beta-D-glucopyranosyl)oxy]methyl}dodecyl 4-O-alpha-D-glucopyranosyl-beta-D-glucopyranoside

AV0, 2-decyl-2-{[(4-O-alpha-D-glucopyranosyl-beta-D-glucopyranosyl)oxy]methyl}dodecyl 4-O-alpha-D-glucopyranosyl-beta-D-glucopyranoside (C47 H88 O22, 1005.2 g/mol), in the MolNFT structures on GenesisL1: bound in 17 records (16 PDB…

Component
AV0
Formula
C47 H88 O22
Class
ligand
Structures
17
PDB entries
16

Binding sites

AV0 in 17 structures; the first of them:

  • 6VP0 · Human Diacylglycerol Acyltransferase 1 in complex with oleoyl-CoA · AV0 C606 · binds ASN100, LEU103, GLN290, LEU291, GLY294, LEU295, GLN298, TRP299 and 1 more
  • 8HKP · Structurally hetero-junctional human Cx36/GJD2 gap junction channel in detergents (C6… · AV0 A401 · binds GLU8, VAL15, GLN16, GLN17, HIS18, SER19, ARG24, LEU27 and 8 more
  • 8J74 · Human high-affinity choline transporter CHT1 in the HC-3-bound outward-facing open… · AV0 A702 · binds ILE201, PRO204, PHE205, SER208, HIS209, PRO210, TYR326, LEU327 and 11 more
  • 8JEW · Human sodium-dependent vitamin C transporter 1 bound to L-ascorbic acid in an inward-open… · AV0 A604 · binds GLY208, TYR284
  • 8SIE · Pendrin in complex with bicarbonate · AV0 D819 · binds SER154, ASN248, GLY249, SER347, GLU348, LEU350, THR351, PHE354 and 7 more
  • 8UUK · Pendrin in apo · AV0 C814 · binds ASN248, GLY249, ILE250, THR351, LEU496, LEU499
  • 8W1V · The beta2 adrenergic receptor bound to a bitopic ligand · AV0 B1202 · binds THR164, PRO168, MET171, HIS172, TRP173, ARG175, ALA176, THR177 and 23 more
  • 8XM6 · Cryo-EM structure of human ZnT1 WT, in the absence of zinc, determined in an… · AV0 B604 · binds VAL53, VAL56, ALA57, PHE60, ARG63, LYS69, TRP74, ALA77 and 8 more
  • 8XMJ · Cryo-EM structure of human ZnT1 WT, in the presence of zinc, determined in heterogeneous… · AV0 B605 · binds VAL56, ALA57, ARG59, PHE60, THR67, TRP74, MET80, LEU336 and 1 more
  • 8XN1 · Cryo-EM structure of human ZnT3, in the presence of zinc, determined in an inward-facing… · AV0 A506 · binds GLN75, LEU76, ALA78, ALA79, VAL82, CYS83, ASP112, SER115 and 11 more
  • 6IIA · Mexb in complex with lmng · AV0 B1101 · binds GLN46, SER48, GLU81, THR89, ARG128, LYS134, VAL139, GLN176 and 13 more
  • 6VP0 · Human diacylglycerol acyltransferase 1 in complex with oleoyl-CoA · AV0 C606 · binds GLN290, LEU291, GLY294, LEU295, GLN298, TRP299, P5S603
  • 7NVH · Cryo-EM structure of the mycolic acid transporter MMPL3 from M. tuberculosis · AV0 A801 · binds GLN40, SER41, TYR44, VAL51, SER54, VAL55, ASP58, GLY67 and 19 more
  • 7ONJ · Mechanosensitive channel mscs solubilized with lmng in open conformation · AV0 A303 · binds ALA119, LEU123, MET126, PHE127, PHE68, LEU111, SER114, LEU115 and 4 more

Residues it binds most

LEU 67, VAL 70, ALA 67, ILE 66, PHE 45, THR 43, GLN 40, GLY 53, TYR 50, SER 35 (residue and the binding sites it lines).

Found with

  • Y01 · Cholesterol hemisuccinate
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose
  • NA · Sodium ion
  • ZN · Zinc ion
  • CLR · Cholesterol
  • LBN · 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine
  • 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)
  • PEE · 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine
  • POV · (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate
  • LMT · Dodecyl-beta-D-maltoside
  • 6OE · (2S)-3-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(hexanoyloxy)propyl hexanoate
  • A1AE2 · (2S)-1-[(3-{1-[4-(4-{(2S)-2-hydroxy-3-[(propan-2-yl)amino]propoxy}phenyl)butyl]-1H-1,2,3-triazol-4-yl}propyl)amino]-3-(2-propylphenoxy)propan-2-ol

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