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Ligand · IP9

IP9 · (2R)-3-{[(R)-{[(1S,2S,3R,4S,5S,6S)-2,6-dihydroxy-3,4,5-tris(phosphonooxy)cyclohexyl]oxy}(hydroxy) phosphoryl]oxy}propane -1,2-diyl dioctanoate

IP9, (2R)-3-{[(R)-{[(1S,2S,3R,4S,5S,6S)-2,6-dihydroxy-3,4,5-tris(phosphonooxy)cyclohexyl]oxy}(hydroxy) phosphoryl]oxy}propane -1,2-diyl dioctanoate (C25 H50 O22 P4, 826.5 g/mol), in the MolNFT structures on GenesisL1: bound in 5 records (4…

Component
IP9
Formula
C25 H50 O22 P4
Class
ligand
Structures
5
PDB entries
4

Binding sites

IP9 in 5 structures; the first of them:

  • 7A17 · Crystal structure of the 5-phosphatase domain of Synaptojanin1 bound to its substrate… · IP9 A901 · binds ASN541, GLU591, LEU595, ALA597, ILE600, MET662, THR666, ASN668 and 11 more
  • 8OX7 · Cryo-EM structure of ATP8B1-CDC50A in E2P autoinhibited "closed" conformation · IP9 A1302 · binds ARG952, ARG1032, VAL1035, LEU1038, HIS1039, LEU1042, ILE1046, VAL1155 and 6 more
  • 8OX8 · Cryo-EM structure of ATP8B1-CDC50A in E2P autoinhibited "open" conformation · IP9 A1302 · binds ARG952, ARG1032, VAL1035, LEU1038, HIS1039, LEU1042, ILE1046, VAL1155 and 5 more
  • 8OX9 · Cryo-EM structure of ATP8B1-CDC50A in E2P active conformation with bound PC · IP9 A1304 · binds ARG1032, VAL1035, LEU1038, HIS1039, LEU1042, ILE1046, VAL1155, PRO1159 and 5 more
  • 7A17 · Crystal structure of the 5-phosphatase domain of SYNAPTOJANIN1 bound to its substrate… · IP9 A901 · binds ASN541, GLU591, LEU595, ALA597, ILE600, MET662, THR666, ASN668 and 11 more

Residues it binds most

ARG 5, VAL 3, ILE 5, LEU 5, HIS 5, ASN 2, LYS 2, ALA 2, PRO 3, SER 3 (residue and the binding sites it lines).

Found with

  • MG · Magnesium ion
  • BMA · beta-D-mannopyranose
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose
  • PO4 · Phosphate ion
  • GOL · Glycerol
  • BEF · Beryllium trifluoride ion
  • POV · (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate

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