GL1X · GenesisL1 explorer

Ligand · 44M

44M · 2'-azido-2',5'-dideoxy-5'-[({5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}sulfamoyl)amino]adenosine

44M, 2'-azido-2',5'-dideoxy-5'-[({5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}sulfamoyl)amino]adenosine (C20 H28 N12 O6 S2, 596.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry).…

Component
44M
Formula
C20 H28 N12 O6 S2
Class
ligand
Structures
2
PDB entries
1

Binding sites

44M in 2 structures; the first of them:

  • 4XTW · Mycobacterium tuberculosis biotin ligase complexed with bisubstrate inhibitor 46 with… · 44M A301 · binds SER38, THR39, ASN40, GLN63, GLY66, ARG67, GLY68, ARG69 and 21 more
  • 4XTW · Mycobacterium tuberculosis biotin ligase complexed with bisubstrate inhibitor 46 with… · 44M A301 · binds SER38, THR39, ASN40, GLN63, GLY66, ARG67, GLY68, ARG69 and 21 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).

Found with

  • EDO · 1,2-ethanediol

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