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Ligand · MJ8

MJ8 · 5'-({[(2R)-3-amino-2-{[2-({N-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl]sulfanyl}propyl]sulfonyl}amino)-5'-deoxyadenosine

MJ8, 5'-({[(2R)-3-amino-2-{[2-({N-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl]sulfanyl}propyl]sulfonyl}amino)-5'-deoxyadenosine (C24 H42 N9 O12 P S2, 743.8 g/mol), in the MolNFT structures on GenesisL1…

Component
MJ8
Formula
C24 H42 N9 O12 P S2
Class
ligand
Structures
2
PDB entries
1

Binding sites

MJ8 in 2 structures; the first of them:

  • 5U89 · Crystal structure of a cross-module fragment from the dimodular NRPS DhbF · MJ8 A1601 · binds PHE655, ASP656, ILE657, GLY725, GLU726, ALA727, ASN745, LEU746 and 9 more
  • 5U89 · Crystal structure of a cross-module fragment from the dimodular nrps dhbf · MJ8 A1601 · binds PHE655, ASP656, ILE657, GLY725, GLU726, ALA727, ASN745, LEU746 and 9 more

Residues it binds most

ASP 2, GLY 2, ILE 2, TYR 2, ALA 2, ARG 2, ASN 2, GLU 2, LEU 2, PHE 2 (residue and the binding sites it lines).

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