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Ligand · PAI

PAI · {[(2,2-dihydroxy-ethyl)-(2,3,4,5-tetrahydroxy-6-phosphonooxy-hexyl)-amino]-methyl}-phosphonic acid

PAI, {[(2,2-dihydroxy-ethyl)-(2,3,4,5-tetrahydroxy-6-phosphonooxy-hexyl)-amino]-methyl}-phosphonic acid (C9 H23 N O13 P2, 415.2 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding site with its…

Component
PAI
Formula
C9 H23 N O13 P2
Class
ligand
Structures
4
PDB entries
2

Binding sites

PAI in 4 structures; the first of them:

  • 1G7V · Crystal structures of KDO8P synthase in its binary complexes with the mechanism-based… · PAI A300 · binds VAL27, ASN62, ARG63, SER68, TYR69, ALA116, PHE117, GLN141 and 9 more
  • 1JCX · Aquifex aeolicus KDO8P synthase in complex with API and Cadmium · PAI A1300 · binds CYS1011, LYS1041, SER1043, LYS1046, ASN1048, ARG1049, SER1050, ASP1081 and 12 more
  • 1G7V · Crystal structures of KDO8P synthase in its binary complexes with the mechanism-based… · PAI A300 · binds VAL27, ASN62, ARG63, SER68, TYR69, ALA116, PHE117, GLN141 and 9 more
  • 1JCX · Aquifex aeolicus KDO8P synthase in complex with api and cadmium · PAI A1300 · binds CYS1011, LYS1041, SER1043, LYS1046, ASN1048, ARG1049, SER1050, ASP1081 and 12 more

Residues it binds most

ARG 6, ASP 6, GLN 6, LYS 4, SER 6, ALA 6, HIS 6, ASN 6, CYS 6, PHE 6 (residue and the binding sites it lines).

Found with

  • CD · Cadmium ion

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