GL1X · GenesisL1 explorer

Ligand · YNY

YNY · Methyl (8R)-8-{[(4P)-6-amino-3H-purin-3-yl]methyl}-4-hydroxy-6-(5,6,7-trimethoxy-1H-indole-2-carbonyl)-3,6, 7,8-tetrahydropyrrolo[3,2-e]indole-2-carboxylate

YNY, Methyl (8R)-8-{[(4P)-6-amino-3H-purin-3-yl]methyl}-4-hydroxy-6-(5,6,7-trimethoxy-1H-indole-2-carbonyl)-3,6, 7,8-tetrahydropyrrolo[3,2-e]indole-2-carboxylate (C30 H28 N8 O7, 612.6 g/mol), in the MolNFT structures on GenesisL1: bound in…

Component
YNY
Formula
C30 H28 N8 O7
Class
ligand
Structures
2
PDB entries
1

Binding sites

YNY in 2 structures; the first of them:

  • 7LXJ · Bacillus cereus DNA glycosylase AlkD bound to a duocarmycin SA-adenine nucleobase adduct… · YNY B102 · binds TYR27, MET28, TRP109, ASP110, LEU155, TRP187, GLU191, DA4 and 8 more
  • 7LXJ · Bacillus cereus DNA glycosylase alkd bound to a duocarmycin sa-adenine nucleobase adduct… · YNY B102 · binds TYR27, MET28, TRP109, ASP110, TRP187, DA5, DG7, DC4 and 5 more

Residues it binds most

DT 2, DC 2, DG 2, TRP 2, DA 2, ASP 2, MET 2, TYR 2, GLU 1, LEU 1 (residue and the binding sites it lines).

Found with

  • CA · Calcium ion
  • ORP · 2-deoxy-5-phosphono-ribose

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