GL1X · GenesisL1 explorer

Ligand · 44R

44R · N-({2-[(6-amino-9H-purin-9-yl)methoxy]ethyl}sulfamoyl)-5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide

44R, N-({2-[(6-amino-9H-purin-9-yl)methoxy]ethyl}sulfamoyl)-5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide (C18 H27 N9 O5 S2, 513.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry).…

Component
44R
Formula
C18 H27 N9 O5 S2
Class
ligand
Structures
2
PDB entries
1

Binding sites

44R in 2 structures; the first of them:

  • 4XU3 · Mycobacterium tuberculosis biotin ligase complexed with bisubstrate inhibitor 90 that has… · 44R A301 · binds SER38, THR39, ASN40, GLN63, GLY66, ARG67, GLY68, ARG69 and 20 more
  • 4XU3 · Mycobacterium tuberculosis biotin ligase complexed with bisubstrate inhibitor 90 that has… · 44R 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).

Found with

  • CL · Chloride ion

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