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Ligand · 5JL

5JL · 2,8-dithioxo-1,2,3,7,8,9-hexahydro-6H-purin-6-one

5JL, 2,8-dithioxo-1,2,3,7,8,9-hexahydro-6H-purin-6-one (C5 H4 N4 O S2, 200.2 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (3 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most…

Component
5JL
Formula
C5 H4 N4 O S2
Class
ligand
Structures
4
PDB entries
3

Binding sites

5JL in 4 structures; the first of them:

  • 5E3D · Crystal structure of the human BRPF1 bromodomain in complex with SEED7 · 5JL A801 · binds ILE652, VAL657, PRO658, VAL662, CYS704, TYR707, ASN708, PHE714
  • 6RP0 · The crystal structure of a complex between the LlFpg protein, a THF-DNA and an inhibitor · 5JL A301 · binds LYS57, LEU161, GLU162, GLN163, GLY170, ARG260, DT8, DT9 and 1 more
  • 6ROK · The crystal structure of a complex between the llfpg protein, a thf- DNA and an inhibitor · 5JL A304 · binds LYS57, LEU161, GLU162, ARG260, DT8, DT9, DT10
  • 6RP0 · The crystal structure of a complex between the llfpg protein, a thf- DNA and an inhibitor · 5JL A301 · binds LYS57, LEU161, GLU162, ARG260, DT8, DT9, DT10

Residues it binds most

DT 3, ARG 3, GLU 3, LEU 3, LYS 3, VAL 1, ASN 1, CYS 1, GLN 1, GLY 1 (residue and the binding sites it lines).

Found with

  • GOL · Glycerol
  • ZN · Zinc ion
  • NO3 · Nitrate ion

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