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Ligand · B1J

B1J · [1-(4-chlorophenyl)-1,2,3-triazol-4-yl]methanol

B1J, [1-(4-chlorophenyl)-1,2,3-triazol-4-yl]methanol (C9 H8 Cl N3 O, 209.6 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (3 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and…

Component
B1J
Formula
C9 H8 Cl N3 O
Class
ligand
Structures
4
PDB entries
3

Binding sites

B1J in 4 structures; the first of them:

  • 5RY8 · INPP5D PanDDA analysis group deposition -- Crystal Structure of the phosphatase and C2… · B1J A901 · binds LYS477, THR478, VAL479, ALA493, GLU498, ILE501, ILE504
  • 5Q29 · Pandda analysis group deposition -- crystal structure of DCLRE1A in complex with… · B1J A1103 · binds VAL1004, GLN1005, LYS1008, PRO1009, GLN1010, LYS1011, ILE1012, PHE1031 and 4 more
  • 5RY8 · INPP5D pandda analysis group deposition -- crystal structure of the phosphatase and C2… · B1J A901 · binds LYS477, THR478, VAL479, ALA493, GLU498, ILE501, ILE504
  • 6ZUV · Notum fragment 286 · B1J A511 · binds TRP128, TYR129, SER232, ALA233, THR236, PHE268, PHE319, PHE320 and 2 more

Residues it binds most

ALA 4, ILE 3, LYS 3, PHE 2, THR 3, VAL 3, GLN 1, GLU 2, TRP 2, TYR 2 (residue and the binding sites it lines).

Found with

  • MN · Manganese (II) ion
  • PO4 · Phosphate ion
  • BTB · 2-[bis-(2-hydroxy-ethyl)-amino]-2-hydroxymethyl-propane-1,3-diol
  • DMS · Dimethyl sulfoxide
  • NI · Nickel (II) ion
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose
  • SO4 · Sulfate ion
  • EDO · 1,2-ethanediol
  • MLI · Malonate ion

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