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Ligand · B0O

B0O · (6R,6aS,10S,10aR)-10-methyl-4-phenyl-6-[(1E)-prop-1-en-1-yl]-2,6,6a,7,8,9,10,10a-octahydro-1H-[2]benzopyrano[4,3-c]pyridin-1-one

B0O, (6R,6aS,10S,10aR)-10-methyl-4-phenyl-6-[(1E)-prop-1-en-1-yl]-2,6,6a,7,8,9,10,10a-octahydro-1H-[2]benzopyrano[4,3-c]pyridin-1-one (C22 H25 N O2, 335.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry).…

Component
B0O
Formula
C22 H25 N O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

B0O in 2 structures; the first of them:

  • 6IX9 · The structure of LepI C52A in complex with SAM and leporin C · B0O B401 · binds MET45, SER48, LEU49, HIS133, CYS175, PHE176, LEU179, PHE189 and 7 more
  • 6IX9 · The structure of lepi C52A in complex with SAM and leporin C · B0O B401 · binds MET45, SER48, LEU49, HIS133, CYS175, PHE176, LEU179, PHE189 and 7 more

Residues it binds most

LEU 2, CYS 2, PHE 2, ARG 2, ASP 2, HIS 2, ILE 2, MET 2, SER 2, THR 2 (residue and the binding sites it lines).

Found with

  • NA · Sodium ion
  • CL · Chloride ion
  • GOL · Glycerol

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