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Ligand · AAT

AAT · S-adenosyl-1,8-diamino-3-thiooctane

AAT, S-adenosyl-1,8-diamino-3-thiooctane (C18 H29 N7 O3 S, 423.5 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and the…

Component
AAT
Formula
C18 H29 N7 O3 S
Class
ligand
Structures
4
PDB entries
2

Binding sites

AAT in 4 structures; the first of them:

  • 1JQ3 · Crystal Structure of Spermidine Synthase in Complex with Transition State Analogue AdoDATO · AAT A800 · binds GLN46, LEU62, ILE65, THR66, MET67, THR68, TYR76, HIS77 and 24 more
  • 2I7C · The crystal structure of spermidine synthase from p. falciparum in complex with AdoDATO · AAT A801 · binds TRP12, GLN33, LEU49, VAL52, ILE53, GLN54, TYR63, HIS64 and 25 more
  • 1JQ3 · Crystal structure of spermidine synthase in complex with transition state analogue adodato · AAT A800 · binds GLN46, LEU62, ILE65, THR66, MET67, THR68, TYR76, HIS77 and 24 more
  • 2I7C · The crystal structure of spermidine synthase from P. falciparum in complex with adodato · AAT A801 · binds TRP12, GLN33, LEU49, VAL52, ILE53, GLN54, TYR63, HIS64 and 25 more

Residues it binds most

ASP 12, GLY 12, ILE 12, GLN 12, LEU 12, THR 12, TYR 12, VAL 12, GLU 12, ALA 12 (residue and the binding sites it lines).

Found with

  • 1PG · 2-(2-{2-[2-(2-methoxy-ethoxy)-ethoxy]-ethoxy}-ethoxy)-ethanol
  • GOL · Glycerol

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