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Ligand · H4A

H4A · (3aR,4R,6R,7R,8aR)-6-phenyloctahydro-1H-3a,7-epiminocyclohepta[c]pyrrol-4-ol

H4A, (3aR,4R,6R,7R,8aR)-6-phenyloctahydro-1H-3a,7-epiminocyclohepta[c]pyrrol-4-ol (C15 H20 N2 O, 244.3 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…

Component
H4A
Formula
C15 H20 N2 O
Class
ligand
Structures
2
PDB entries
1

Binding sites

H4A in 2 structures; the first of them:

  • 5QGO · PanDDA analysis group deposition of models with modelled events (e.g. bound ligands)… · H4A A301 · binds TYR41, ARG67, ALA68, CYS73, ILE116, ASP117, ILE122, MET192 and 1 more
  • 5QGO · Pandda analysis group deposition of models with modelled events (E.G. bound ligands)… · H4A A301 · binds TYR41, ARG67, CYS73, ILE116, ASP117, ILE122, MET192, THR193

Residues it binds most

ILE 2, ARG 2, ASP 2, CYS 2, MET 2, THR 2, TYR 2, ALA 1 (residue and the binding sites it lines).

Found with

  • ACT · Acetate ion
  • DMS · Dimethyl sulfoxide

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