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Ligand · YPE

YPE · 4-[8-(4-hydroxybut-1-yn-1-yl)pyren-1-yl]but-3-yn-1-yl dihydrogen phosphate

YPE, 4-[8-(4-hydroxybut-1-yn-1-yl)pyren-1-yl]but-3-yn-1-yl dihydrogen phosphate (C24 H19 O5 P, 418.4 g/mol), in the MolNFT structures on GenesisL1: bound in 3 records (3 PDB entries). Every binding site with its residues within 4.5 Å, the…

Component
YPE
Formula
C24 H19 O5 P
Class
ligand
Structures
3
PDB entries
3

Binding sites

YPE in 3 structures; the first of them:

  • 5HLT · Crystal structure of pyrene- and phenanthrene-modified DNA in complex with the BPUJ1… · YPE L102 · binds DT103
  • 5HNF · Crystal structure of pyrene- and phenanthrene-modified DNA in complex with the BPUJ1… · YPE L102 · binds DG101, DA103, DC211
  • 5HNH · Crystal structure of pyrene- and phenanthrene-modified DNA in complex with the BPUJ1… · YPE L102 · binds LYS62, DG101, DA103

Residues it binds most

DA 6, DC 5, DG 5, DT 5, ASP 2, LYS 2 (residue and the binding sites it lines).

Found with

  • YPF · 4-[6-(4-oxidanylbut-1-ynyl)phenanthren-3-yl]but-3-ynyl dihydrogen phosphate

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