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Ligand · I8P

I8P · (1R,3S,4R,5S,6R)-2,4,5,6-tetrakis(phosphonooxy) cyclohexane-1,3-diyl bis[trihydrogen (diphosphate)]

I8P, (1R,3S,4R,5S,6R)-2,4,5,6-tetrakis(phosphonooxy) cyclohexane-1,3-diyl bis[trihydrogen (diphosphate)] (C6 H20 O30 P8, 820.0 g/mol), in the MolNFT structures on GenesisL1: bound in 8 records (5 PDB entries). Every binding site with its…

Component
I8P
Formula
C6 H20 O30 P8
Class
ligand
Structures
8
PDB entries
5

Binding sites

I8P in 8 structures; the first of them:

  • 3T9F · Crystal structure of the catalytic domain of human diphosphoinositol pentakisphosphate… · I8P A501 · binds LYS53, LYS54, SER102, HIS194, ARG213, LYS214, LYS248, TYR250 and 11 more
  • 4Q4C · Crystal structure of the catalytic domain of human diphosphoinositol pentakisphosphate… · I8P A402 · binds LYS53, LYS54, SER102, HIS194, ARG213, LYS214, LYS248, TYR250 and 10 more
  • 7MP2 · Crystal structure of native bovine arrestin 1 in complex with 1D-myo-inositol… · I8P A501 · binds LYS15, ARG171, LEU173, LYS298, LYS300, HIS301, ALA381, ARG382 and 1 more
  • 8E1J · Asp1 kinase in complex with 1,5-IP8 · I8P A401 · binds LYS43, SER92, ARG223, LYS224, LYS260, ARG274, ARG285, GLY289 and 6 more
  • 8TYV · Crystal structure of the SPX domain of XPR1 in complex with IP8 · I8P A301 · binds LYS2, PHE3, TYR22, LYS26, LYS158, LYS161, LYS162, LYS165 and 8 more
  • 3T9F · Crystal structure of the catalytic domain of human diphosphoinositol pentakisphosphate… · I8P A501 · binds LYS53, LYS54, SER102, HIS194, ARG213, LYS214, LYS248, TYR250 and 11 more
  • 4Q4C · Crystal structure of the catalytic domain of human diphosphoinositol pentakisphosphate… · I8P A402 · binds LYS53, LYS54, SER102, HIS194, ARG213, LYS214, LYS248, TYR250 and 10 more
  • 7MP2 · Crystal structure of native bovine arrestin 1 in complex with 1D-myo- inositol… · I8P A501 · binds LYS15, ARG171, LEU173, LYS298, LYS300, HIS301, ALA381, ARG382 and 1 more

Residues it binds most

LYS 18, ARG 15, ASN 13, HIS 12, LEU 12, ALA 11, SER 5, ASP 4, PHE 5, TYR 5 (residue and the binding sites it lines).

Found with

  • ADP · Adenosine-5'-diphosphate
  • MG · Magnesium ion
  • CD · Cadmium ion

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