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Ligand · 545

545 · [2-amino-3-(4-hydroxy-phenyl)-propionylamino]-(1,3,4,5-tetrahydroxy-4-hydroxymethyl-piperidin-2-yl)- acetic acid butyl ester

545, [2-amino-3-(4-hydroxy-phenyl)-propionylamino]-(1,3,4,5-tetrahydroxy-4-hydroxymethyl-piperidin-2-yl)- acetic acid butyl ester (C21 H33 N3 O9, 471.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every…

Component
545
Formula
C21 H33 N3 O9
Class
ligand
Structures
2
PDB entries
1

Binding sites

545 in 2 structures; the first of them:

  • 1JIK · Crystal structure of S. aureus TyrRS in complex with SB-243545 · 545 A421 · binds TYR36, CYS37, GLY38, ALA39, ASP40, THR42, SER45, LEU46 and 18 more
  • 1JIK · Crystal structure of S. aureus tyrrs in complex with sb-243545 · 545 A421 · binds TYR36, CYS37, GLY38, ALA39, ASP40, THR42, SER45, LEU46 and 18 more

Residues it binds most

ASP 2, GLY 2, GLN 2, ASN 2, LEU 2, THR 2, TYR 2, ALA 2, CYS 2, HIS 2 (residue and the binding sites it lines).

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