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Ligand · I3S

I3S · (1S,3S,4S)-1,3,4-triphospho-myo-inositol

I3S, (1S,3S,4S)-1,3,4-triphospho-myo-inositol (C6 H15 O15 P3, 420.1 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and the…

Component
I3S
Formula
C6 H15 O15 P3
Class
ligand
Structures
4
PDB entries
2

Binding sites

I3S in 4 structures; the first of them:

  • 1Z2P · Inositol 1,3,4-trisphosphate 5/6-Kinase in complex with Mg2+/AMP-PCP/Ins(1,3,4)P3 · I3S X500 · binds LYS17, THR20, LYS57, THR59, ALA140, GLN141, GLY142, HIS147 and 8 more
  • 2P0H · ArhGAP9 PH domain in complex with Ins(1,3,4)P3 · I3S A101 · binds ARG342, LYS343, TRP345, SER397, SER398, ARG399
  • 1Z2P · Inositol 1,3,4-trisphosphate 5/6-kinase in complex with MG2+/AMP- PCP/INS(1,3,4)P3 · I3S X500 · binds LYS17, THR20, LYS57, THR59, ALA140, GLN141, GLY142, HIS147 and 8 more
  • 2P0H · ARHGAP9 pH domain in complex with INS(1,3,4)P3 · I3S A101 · binds ARG342, LYS343, TRP345, SER397, SER398, ARG399

Residues it binds most

LYS 4, SER 4, ARG 2, GLN 2, PHE 2, THR 2, ALA 2, ASN 2, ASP 2, GLY 2 (residue and the binding sites it lines).

Found with

  • ACP · Phosphomethylphosphonic acid adenylate ester
  • MG · Magnesium ion

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