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Ligand · 58J

58J · 4-Methoxydehydrocyclopeptin

58J, 4-Methoxydehydrocyclopeptin (C18 H16 N2 O3, 308.3 g/mol), in the MolNFT structures on GenesisL1: bound in 8 records (4 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and the ligands found…

Component
58J
Formula
C18 H16 N2 O3
Class
ligand
Structures
8
PDB entries
4

Binding sites

58J in 8 structures; the first of them:

  • 7OLP · Dioxygenase AsqJ mutant (V72I) in complex with 2 and alpha-ketoglutarate · 58J A403 · binds ASN70, ILE72, LEU73, LEU79, MET118, MET122, GLN131, PRO132 and 8 more
  • 7OLQ · Dioxygenase AsqJ mutant (V72I) in complex with 2 and Tris · 58J A402 · binds ASN70, ILE72, LEU73, LEU79, MET118, MET122, GLN131, PRO132 and 8 more
  • 7OLR · Dioxygenase AsqJ in complex with 2 and alpha-ketoglutarate · 58J A403 · binds ASN70, VAL72, LEU73, LEU79, MET118, MET122, GLN131, PRO132 and 8 more
  • 7OLT · Dioxygenase AsqJ in complex with 2 and Tris · 58J A402 · binds ASN70, VAL72, LEU73, SER74, LEU79, MET118, MET122, GLN131 and 9 more
  • 7OLP · Dioxygenase asqj mutant (V72I) in complex with 2 and alpha- ketoglutarate · 58J A403 · binds ASN70, ILE72, LEU73, LEU79, MET118, MET122, GLN131, PRO132 and 5 more
  • 7OLQ · Dioxygenase asqj mutant (V72I) in complex with 2 and tris · 58J A402 · binds ASN70, ILE72, LEU73, LEU79, MET118, GLN131, PRO132, HIS134 and 4 more
  • 7OLR · Dioxygenase asqj in complex with 2 and alpha-ketoglutarate · 58J A403 · binds ASN70, VAL72, LEU73, LEU79, MET118, MET122, GLN131, PRO132 and 5 more
  • 7OLT · Dioxygenase asqj in complex with 2 and tris · 58J A402 · binds ASN70, VAL72, LEU73, LEU79, MET118, MET122, GLN131, PRO132 and 5 more

Residues it binds most

MET 8, LEU 8, ASN 8, THR 8, ASP 8, GLN 8, HIS 8, PHE 8, PRO 8, ARG 4 (residue and the binding sites it lines).

Found with

  • NI · Nickel (II) ion
  • AKG · 2-oxoglutaric acid
  • BR · Bromide ion
  • TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol
  • K · Potassium ion
  • CL · Chloride ion

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