GL1X · GenesisL1 explorer

Ligand · LY3

LY3 · 2-{4-[2-(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)-ethyl]-benzoylamino}-4-(2H-tetrazol-5-yl)-butyric acid

LY3, 2-{4-[2-(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)-ethyl]-benzoylamino}-4-(2H-tetrazol-5-yl)-butyric acid (C20 H21 N9 O4, 451.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every…

Component
LY3
Formula
C20 H21 N9 O4
Class
ligand
Structures
2
PDB entries
1

Binding sites

LY3 in 2 structures; the first of them:

  • 1JTQ · E. coli TS Complex with dUMP and the Pyrrolo(2,3-d)pyrimidine-based Antifolate LY341770 · LY3 A501 · binds HIS51, SER54, ILE79, TRP80, TRP83, LEU143, ASP169, LEU172 and 7 more
  • 1JTQ · E. COLI ts complex with dump and the PYRROLO(2,3-D)PYRIMIDINE-based antifolate LY341770 · LY3 A501 · binds HIS51, SER54, ILE79, TRP80, TRP83, LEU143, ASP169, LEU172 and 7 more

Residues it binds most

ILE 4, LEU 4, TRP 4, ALA 4, ASP 4, GLY 4, HIS 4, LYS 4, PHE 4, SER 4 (residue and the binding sites it lines).

Found with

  • UMP · 2'-deoxyuridine 5'-monophosphate

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