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Ligand · J1D

J1D · 5'-{[2-({N-[(2-amino-7,7-dimethyl-4-oxo-3,4,7,8-tetrahydropteridin-6-yl)carbonyl]glycyl}amino)ethyl]sulfonyl}-5'-deoxyadenosine

J1D, 5'-{[2-({N-[(2-amino-7,7-dimethyl-4-oxo-3,4,7,8-tetrahydropteridin-6-yl)carbonyl]glycyl}amino)ethyl]sulfonyl}-5'-deoxyadenosine (C23 H30 N12 O8 S, 634.6 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB…

Component
J1D
Formula
C23 H30 N12 O8 S
Class
ligand
Structures
4
PDB entries
2

Binding sites

J1D in 4 structures; the first of them:

  • 4F7V · Crystal structure of E. coli HPPK in complex with bisubstrate analogue inhibitor J1D… · J1D A201 · binds GLY8, THR42, PRO43, PRO44, LEU45, TYR53, ASN55, LEU70 and 18 more
  • 4PZV · Crystal structure of Francisella tularensis HPPK-DHPS in complex with bisubstrate analog… · J1D A501 · binds GLY8, SER42, LYS43, ALA44, VAL45, PHE58, ASN60, LEU75 and 15 more
  • 4F7V · Crystal structure of E. COLI hppk in complex with bisubstrate analogue inhibitor J1D… · J1D A201 · binds GLY8, THR42, PRO43, PRO44, LEU45, TYR53, ASN55, LEU70 and 18 more
  • 4PZV · Crystal structure of francisella tularensis hppk-dhps in complex with bisubstrate analog… · J1D A501 · binds GLY8, SER42, LYS43, ALA44, VAL45, PHE58, ASN60, LEU75 and 15 more

Residues it binds most

ARG 4, LEU 4, ASP 4, LYS 4, GLY 4, ILE 4, PHE 4, THR 4, ASN 4, PRO 2 (residue and the binding sites it lines).

Found with

  • EDO · 1,2-ethanediol

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