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Ligand · NA3

NA3 · (3S)-3-{[(5-bromopyridin-3-yl)carbonyl]amino}-4-oxobutanoic acid

NA3, (3S)-3-{[(5-bromopyridin-3-yl)carbonyl]amino}-4-oxobutanoic acid (C10 H9 Br N2 O4, 301.1 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, the residues…

Component
NA3
Formula
C10 H9 Br N2 O4
Class
ligand
Structures
2
PDB entries
1

Binding sites

NA3 in 2 structures; the first of them:

  • 1RE1 · Crystal structure of caspase-3 with a nicotinic acid aldehyde inhibitor · NA3 A501 · binds ARG179, SER236, HIS237, GLY238, GLN283, ALA284, CYS285, TYR338 and 3 more
  • 1RE1 · Crystal structure of caspase-3 with a nicotinic acid aldehyde inhibitor · NA3 A501 · binds ARG179, SER236, HIS237, GLY238, GLN283, ALA284, CYS285, TYR338 and 3 more

Residues it binds most

ARG 2, SER 2, ALA 2, CYS 2, GLN 2, GLY 2, HIS 2, TRP 2, TYR 2 (residue and the binding sites it lines).

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