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Ligand · 44N

44N · 2'-C-methyl-5'-O-({5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}sulfamoyl)adenosine

44N, 2'-C-methyl-5'-O-({5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}sulfamoyl)adenosine (C21 H30 N8 O8 S2, 586.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site…

Component
44N
Formula
C21 H30 N8 O8 S2
Class
ligand
Structures
2
PDB entries
1

Binding sites

44N in 2 structures; the first of them:

  • 4XU0 · Mycobacterium tuberculosis biotin ligase complexed with bisubstrate inhibitor 73 that has… · 44N A301 · binds SER38, THR39, ASN40, GLN63, GLY66, ARG67, GLY68, ARG69 and 20 more
  • 4XU0 · Mycobacterium tuberculosis biotin ligase complexed with bisubstrate inhibitor 73 that has… · 44N A301 · binds SER38, THR39, ASN40, GLN63, GLY66, ARG67, GLY68, ARG69 and 20 more

Residues it binds most

GLY 4, ARG 4, ASN 4, ALA 4, ASP 4, GLN 4, ILE 4, LEU 4, SER 4, VAL 4 (residue and the binding sites it lines).

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