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Ligand · J1O

J1O · 4-[[(2R)-3,3-dimethyl-2-oxidanyl-4-phosphonooxy-butanoyl]amino]butanoic acid

J1O, 4-[[(2R)-3,3-dimethyl-2-oxidanyl-4-phosphonooxy-butanoyl]amino]butanoic acid (C10 H20 N O8 P, 313.2 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5 Å…

Component
J1O
Formula
C10 H20 N O8 P
Class
ligand
Structures
2
PDB entries
1

Binding sites

J1O in 2 structures; the first of them:

  • 7EDZ · Crystal Structure of human PPCS in complex with P-HoPan and AMPPNP · J1O D405 · binds ASN59, PHE60, SER61, SER62, GLY63, ARG64, ARG65, ALA178 and 8 more
  • 7EDZ · Crystal structure of human ppcs in complex with P-hopan and amppnp · J1O D405 · binds ASN59, SER61, SER62, GLY63, ARG64, ARG65, ALA178, ALA179 and 6 more

Residues it binds most

ALA 8, ARG 8, ASN 8, SER 8, PHE 8, GLY 8, LEU 8, VAL 8, LYS 4 (residue and the binding sites it lines).

Found with

  • ANP · Phosphoaminophosphonic acid-adenylate ester
  • MG · Magnesium ion
  • SO4 · Sulfate ion
  • GOL · Glycerol

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