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Ligand · 4LJ

4LJ · 1.7.6 3-bromanylpropan-1-amine

4LJ, 1.7.6 3-bromanylpropan-1-amine (C3 H8 Br N, 138.0 g/mol), in the MolNFT structures on GenesisL1: bound in 5 records (4 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and the ligands found…

Component
4LJ
Formula
C3 H8 Br N
Class
ligand
Structures
5
PDB entries
4

Binding sites

4LJ in 5 structures; the first of them:

  • 3PSE · Structure of a viral OTU domain protease bound to interferon-stimulated gene 15 (ISG15) · 4LJ B157 · binds ASP37, GLY38, CYS40, TRP99, THR150, HIS151, PHE152, GLY156
  • 3PT2 · Structure of a viral OTU domain protease bound to Ubiquitin · 4LJ B76 · binds PRO35, ASP37, GLY38, ASN39, CYS40, TRP99, THR150, HIS151 and 1 more
  • 4HXD · Diversity of ubiquitin and ISG15 specificity amongst nairoviruses viral ovarian tumor… · 4LJ A101 · binds GLY75, PRO35, ASP37, GLY38, ASN39, CYS40, PHE41, TRP99 and 2 more
  • 4Z91 · ELIC cocrystallized with isofluorane in a desensitized state · 4LJ A403 · binds PHE19, TYR38
  • 4Z91 · Elic cocrystallized with isofluorane in a desensitized state · 4LJ A403 · binds PHE19, TYR38

Residues it binds most

ASN 31, PHE 29, PRO 23, GLU 20, LEU 16, TYR 12, GLY 4, ARG 8, VAL 8, ASP 4 (residue and the binding sites it lines).

Found with

  • 4LE · (2R)-2-chloro-2-(difluoromethoxy)-1,1,1-trifluoroethane
  • SO4 · Sulfate ion
  • MES · 2-(N-morpholino)-ethanesulfonic acid
  • ACT · Acetate ion
  • GOL · Glycerol

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