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Ligand · B3O

B3O · (1r,2r,4as,8s,8ar)-2,8-dimethyl-5'-phenyl-4A,5,6,7,8, 8A-hexahydro-2H,2'H-spiro[naphthalene-1,3'-pyridine]-2',4'(1'H)-dione

B3O, (1r,2r,4as,8s,8ar)-2,8-dimethyl-5'-phenyl-4A,5,6,7,8, 8A-hexahydro-2H,2'H-spiro[naphthalene-1,3'-pyridine]-2',4'(1'H)-dione (C22 H25 N O2, 335.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every…

Component
B3O
Formula
C22 H25 N O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

B3O in 2 structures; the first of them:

  • 6IX8 · The structure of LepI C52A in complex with SAM and its substrate analogue · B3O A408 · binds HIS133, LEU138, CYS175, PHE189, ARG197, ARG295, ASP296, THR338 and 7 more
  • 6IX8 · The structure of lepi C52A in complex with SAM and its substrate analogue · B3O A408 · binds HIS133, LEU138, CYS175, PHE189, ARG197, ARG295, ASP296, THR338 and 7 more

Residues it binds most

LEU 4, CYS 4, ARG 4, ALA 4, ASP 4, HIS 4, ILE 4, MET 4, PHE 4, SER 4 (residue and the binding sites it lines).

Found with

  • NA · Sodium ion
  • CL · Chloride ion
  • ACT · Acetate ion
  • EDO · 1,2-ethanediol

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