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Ligand · SH2

SH2 · (R)-N-(3-((2-(benzo[d][1,3]dioxol-5-yl)ethyl)amino)-3-oxopropyl)-2,4-dihydroxy-3,3-dimethylbutanamide

SH2, (R)-N-(3-((2-(benzo[d][1,3]dioxol-5-yl)ethyl)amino)-3-oxopropyl)-2,4-dihydroxy-3,3-dimethylbutanamide (C18 H26 N2 O6, 366.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its…

Component
SH2
Formula
C18 H26 N2 O6
Class
ligand
Structures
2
PDB entries
1

Binding sites

SH2 in 2 structures; the first of them:

  • 4NE2 · Pantothenamide-bound Pantothenate Kinase from Klebsiella pneumoniae · SH2 A402 · binds VAL97, ASP127, LEU130, LYS145, GLY146, TYR151, TYR175, HIS177 and 11 more
  • 4NE2 · Pantothenamide-bound pantothenate kinase from klebsiella pneumoniae · SH2 A402 · binds VAL97, ASP127, LEU130, LYS145, GLY146, TYR151, TYR175, HIS177 and 11 more

Residues it binds most

TYR 4, LEU 4, PHE 4, ARG 4, ASN 4, ASP 4, GLY 4, HIS 4, ILE 4, LYS 4 (residue and the binding sites it lines).

Found with

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

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