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Ligand · 4PJ

4PJ · 2-[(5S,10S)-11-[3,5-bis(oxidanyl)phenyl]-10-methyl-undecan-5-yl]-5-[(2S,7R)-7-fluoranyl-2-methyl-undecyl]benzene-1,3-diol

4PJ, 2-[(5S,10S)-11-[3,5-bis(oxidanyl)phenyl]-10-methyl-undecan-5-yl]-5-[(2S,7R)-7-fluoranyl-2-methyl-undecyl]benzene-1,3-diol (C36 H57 F O4, 572.9 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every…

Component
4PJ
Formula
C36 H57 F O4
Class
ligand
Structures
2
PDB entries
1

Binding sites

4PJ in 2 structures; the first of them:

  • 7FH8 · Friedel-Crafts alkylation enzyme CylK mutant H391A · 4PJ A701 · binds TYR37, ILE38, VAL41, LEU42, PHE72, PRO73, PHE76, VAL82 and 18 more
  • 7FH8 · Friedel-crafts alkylation enzyme cylk mutant H391A · 4PJ A701 · binds TYR37, ILE38, VAL41, LEU42, PHE72, PRO73, PHE76, VAL82 and 18 more

Residues it binds most

PHE 2, LEU 2, ASP 2, GLU 2, PRO 2, THR 2, VAL 2, ARG 2, ASN 2, ILE 2 (residue and the binding sites it lines).

Found with

  • CA · Calcium ion
  • MG · Magnesium ion
  • CL · Chloride ion

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