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Ligand · A52

A52 · 3-AMINOMETHYL-7-(ETHOXY)-3H-BENZO[C][1,2]OXABOROL-1-OL modified adenosine

A52, 3-AMINOMETHYL-7-(ETHOXY)-3H-BENZO[C][1,2]OXABOROL-1-OL modified adenosine (C20 H23 B N6 O9 P -3, 533.2 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5 Å…

Component
A52
Formula
C20 H23 B N6 O9 P -3
Class
ligand
Structures
2
PDB entries
1

Binding sites

A52 in 2 structures; the first of them:

  • 5AGR · Crystal structure of the LeuRS editing domain of Mycobacterium tuberculosis in complex… · A52 A1514 · binds PHE335, THR336, THR337, ARG338, THR341, TYR430, VAL431, LEU432 and 11 more
  • 5AGR · Crystal structure of the leurs editing domain of mycobacterium tuberculosis in complex… · A52 A1514 · binds PHE335, THR336, THR337, ARG338, THR341, TYR430, VAL431, LEU432 and 11 more

Residues it binds most

THR 2, ALA 2, ARG 2, ASP 2, TYR 2, VAL 2, GLY 2, HIS 2, ILE 2, LEU 2 (residue and the binding sites it lines).

Found with

  • EDO · 1,2-ethanediol

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