GL1X · GenesisL1 explorer

Ligand · JF1

JF1 · (1S,5S,8S,9aR)-1,9a-dimethyl-8-(prop-1-en-2-yl)octahydro-2H-quinolizinium

JF1, (1S,5S,8S,9aR)-1,9a-dimethyl-8-(prop-1-en-2-yl)octahydro-2H-quinolizinium (C14 H26 N +1, 208.4 g/mol), in the MolNFT structures on GenesisL1: bound in 3 records (3 PDB entries). Every binding site with its residues within 4.5 Å, the…

Component
JF1
Formula
C14 H26 N +1
Class
ligand
Structures
3
PDB entries
3

Binding sites

JF1 in 3 structures; the first of them:

  • 5IMI · Crystal structure of S303A Aspergillus terreus aristolochene synthase complexed with… · JF1 A405 · binds VAL57, TYR61, LEU77, LEU80, PHE81, ASP84, PHE147, ASP172 and 6 more
  • 5IMN · Crystal structure of N299A/S303A Aspergillus terreus aristolochene synthase complexed… · JF1 A406 · binds TYR61, LEU80, PHE81, PHE147, VAL173, LEU178, LEU209, ASN213
  • 5IMP · Crystal structure of N299A Aspergillus terreus aristolochene synthase complexed with… · JF1 A405 · binds TYR61, LEU77, LEU80, PHE81, ASP84, PHE147, ASP172, VAL173 and 5 more

Residues it binds most

LEU 12, PHE 12, ASP 10, ASN 12, VAL 12, TYR 12, TRP 4, GLY 2, ALA 1 (residue and the binding sites it lines).

Found with

  • POP · Pyrophosphate 2-
  • MG · Magnesium ion
  • GOL · Glycerol

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