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Ligand · SH3

SH3 · N-[2-(1,3-benzodioxol-5-yl)ethyl]-N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide

SH3, N-[2-(1,3-benzodioxol-5-yl)ethyl]-N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide (C18 H27 N2 O9 P, 446.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site…

Component
SH3
Formula
C18 H27 N2 O9 P
Class
ligand
Structures
2
PDB entries
1

Binding sites

SH3 in 2 structures; the first of them:

  • 4NB4 · Pantothenamide-bound Pantothenate kinase from Staphylococcus aureus · SH3 A302 · binds GLY8, GLY9, GLU70, PHE71, GLY98, THR99, GLY100, THR101 and 14 more
  • 4NB4 · Pantothenamide-bound pantothenate kinase from staphylococcus aureus · SH3 A302 · binds GLY8, GLY9, GLU70, PHE71, GLY98, THR99, GLY100, THR101 and 14 more

Residues it binds most

GLY 16, THR 16, ILE 16, GLU 16, TYR 16, ALA 16, ARG 16, LEU 16, PHE 16, SER 16 (residue and the binding sites it lines).

Found with

  • ADP · Adenosine-5'-diphosphate
  • MG · Magnesium ion

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