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Ligand · 6JI

6JI · 5-[(1R,2S,4R,6R,7R,10S,11S,14S,16R)-14-hydroxy-7,11-dimethyl-3-oxapentacyclo[8.8.0.02,4.02,7.011, 16]octadecan-6-yl]pyran-2-one

6JI, 5-[(1R,2S,4R,6R,7R,10S,11S,14S,16R)-14-hydroxy-7,11-dimethyl-3-oxapentacyclo[8.8.0.02,4.02,7.011, 16]octadecan-6-yl]pyran-2-one (C24 H32 O4, 384.5 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (3 PDB entries).…

Component
6JI
Formula
C24 H32 O4
Class
ligand
Structures
4
PDB entries
3

Binding sites

6JI in 4 structures; the first of them:

  • 7W0Z · Glycosyltranferase UGT74AN2 · 6JI A502 · binds PHE19, HIS24, THR121, GLN142, PHE190, VAL197, LEU200, LEU201 and 2 more
  • 8IND · Crystal structure of UGT74AN3-UDP-RES · 6JI A501 · binds PHE20, HIS25, ILE81, MET84, GLU85, MET88, SER125, GLN146 and 7 more
  • 8WRJ · glycosyltransferase UGT74AN3 · 6JI A501 · binds PHE11, HIS16, ILE72, MET75, GLU76, MET79, PHE83, SER116 and 7 more
  • 7W0Z · Glycosyltranferase UGT74AN2 · 6JI A502 · binds PHE19, HIS24, GLN142, LEU200, LEU201, ILE284

Residues it binds most

LEU 4, PHE 4, GLN 4, HIS 4, ILE 4, MET 2, VAL 3, GLU 2, SER 2, TRP 2 (residue and the binding sites it lines).

Found with

  • UDP · Uridine-5'-diphosphate
  • TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol

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