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Ligand · 651

651 · (3R)-3-biphenyl-4-yl-1-azabicyclo[2.2.2]octan-3-ol

651, (3R)-3-biphenyl-4-yl-1-azabicyclo[2.2.2]octan-3-ol (C19 H21 N O, 279.4 g/mol), in the MolNFT structures on GenesisL1: bound in 6 records (3 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most…

Component
651
Formula
C19 H21 N O
Class
ligand
Structures
6
PDB entries
3

Binding sites

651 in 6 structures; the first of them:

  • 3ACW · Crystal structure of the C(30) carotenoid dehydrosqualene synthase from Staphylococcus… · 651 A1001 · binds HIS18, PHE22, PHE26, TYR41, VAL133, ALA134, VAL137, GLY138 and 9 more
  • 4E9Z · Crystal structure of dehydrosqualene synthase (Crtm) from S. aureus complexed with… · 651 A301 · binds PHE26, TYR41, ARG45, ASP48, VAL133, ALA134, VAL137, GLY138 and 7 more
  • 4EA0 · Crystal structure of dehydrosqualene synthase (Crtm) from S. aureus complexed with… · 651 A306 · binds PHE22, PHE26, TYR41, CYS44, ARG45, ASP48, VAL133, ALA134 and 8 more
  • 3ACW · Crystal structure of the C(30) carotenoid dehydrosqualene synthase from staphylococcus… · 651 A1001 · binds HIS18, PHE22, PHE26, TYR41, VAL133, ALA134, VAL137, GLY138 and 9 more
  • 4E9Z · Crystal structure of dehydrosqualene synthase (crtm) from S. aureus complexed with… · 651 A301 · binds PHE26, TYR41, ARG45, ASP48, VAL133, ALA134, VAL137, GLY138 and 7 more
  • 4EA0 · Crystal structure of dehydrosqualene synthase (crtm) from S. aureus complexed with… · 651 A306 · binds PHE22, PHE26, TYR41, CYS44, ARG45, ASP48, VAL133, ALA134 and 8 more

Residues it binds most

LEU 8, GLY 8, VAL 8, ALA 8, PHE 8, TYR 8, ASN 8, GLN 8, ARG 6, ASP 6 (residue and the binding sites it lines).

Found with

  • POP · Pyrophosphate 2-
  • MG · Magnesium ion
  • TLA · L(+)-tartaric acid

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