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Ligand · 629

629 · [2-amino-3-(4-hydroxy-phenyl)-propionylamino]-(1,3,4,5-tetrahydroxy-4-hydroxymethyl-piperidin-2-yl)- acetic acid

629, [2-amino-3-(4-hydroxy-phenyl)-propionylamino]-(1,3,4,5-tetrahydroxy-4-hydroxymethyl-piperidin-2-yl)- acetic acid (C17 H25 N3 O9, 415.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site…

Component
629
Formula
C17 H25 N3 O9
Class
ligand
Structures
2
PDB entries
1

Binding sites

629 in 2 structures; the first of them:

  • 1JIJ · Crystal structure of S. aureus TyrRS in complex with SB-239629 · 629 A421 · binds TYR36, CYS37, GLY38, ALA39, ASP40, THR42, HIS47, GLY49 and 16 more
  • 1JIJ · Crystal structure of S. aureus tyrrs in complex with sb-239629 · 629 A421 · binds TYR36, CYS37, GLY38, ALA39, ASP40, THR42, HIS47, GLY49 and 16 more

Residues it binds most

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

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