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Ligand · 3AI

3AI · N-[(2S)-2-amino-3-phenylpropyl]-D-methionyl-L-alanyl-L-isoleucine

3AI, N-[(2S)-2-amino-3-phenylpropyl]-D-methionyl-L-alanyl-L-isoleucine (C23 H38 N4 O4 S, 466.6 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
3AI
Formula
C23 H38 N4 O4 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

3AI in 2 structures; the first of them:

  • 1E5O · Endothiapepsin complex with inhibitor DB2 · 3AI E327 · binds ASP30, ASP32, GLY34, SER35, ILE73, SER74, TYR75, GLY76 and 10 more
  • 1E5O · Endothiapepsin complex with inhibitor DB2 · 3AI E327 · binds ASP30, ASP32, GLY34, SER35, ILE73, SER74, TYR75, GLY76 and 10 more

Residues it binds most

ASP 2, GLY 2, ILE 2, SER 2, PHE 2, LEU 2, THR 2, TYR 2 (residue and the binding sites it lines).

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