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Ligand · J1B

J1B · 5'-S-[1-(2-{[(2-amino-7,7-dimethyl-4-oxo-3,4,7,8-tetrahydropteridin-6-yl)methyl]amino}ethyl)piperidin-4-yl]-5'-thioadenosine

J1B, 5'-S-[1-(2-{[(2-amino-7,7-dimethyl-4-oxo-3,4,7,8-tetrahydropteridin-6-yl)methyl]amino}ethyl)piperidin-4-yl]-5'-thioadenosine (C26 H38 N12 O4 S, 614.7 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry).…

Component
J1B
Formula
C26 H38 N12 O4 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

J1B in 2 structures; the first of them:

  • 3UDE · Crystal structure of E. coli HPPK in complex with bisubstrate analogue inhibitor J1B · J1B A171 · binds GLY8, THR42, PRO43, PRO44, LEU45, TYR53, ASN55, LEU70 and 18 more
  • 3UDE · Crystal structure of E. COLI hppk in complex with bisubstrate analogue inhibitor J1B · J1B A171 · binds GLY8, THR42, PRO43, PRO44, LEU45, TYR53, ASN55, LEU70 and 18 more

Residues it binds most

ARG 2, LEU 2, ASP 2, GLY 2, PRO 2, THR 2, TYR 2, ASN 2, GLN 2, GLU 2 (residue and the binding sites it lines).

Found with

  • ACT · Acetate ion

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