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Ligand · BZX

BZX · 1,3-benzodioxol-5-ol

BZX, 1,3-benzodioxol-5-ol (C7 H6 O3, 138.1 g/mol), in the MolNFT structures on GenesisL1: bound in 3 records (2 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and the ligands found with it.

Component
BZX
Formula
C7 H6 O3
Class
ligand
Structures
3
PDB entries
2

Binding sites

BZX in 3 structures; the first of them:

  • 5RTK · PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in… · BZX A201 · binds ASP22, ILE23, GLY48, VAL49, ALA52, PHE156
  • 7H8U · Group deposition for crystallographic fragment screening of Chikungunya virus nsP3… · BZX A210 · binds MET9, ASP10, ILE11, GLY32, VAL33, ALA36, TYR142, CYS143 and 1 more
  • 5RTK · Pandda analysis group deposition -- crystal structure of SARS-cov-2 NSP3 macrodomain in… · BZX A201 · binds GLY48, VAL49, ALA52, PHE156

Residues it binds most

ALA 6, ARG 5, ASP 6, GLY 6, VAL 6, CYS 5, ILE 5, MET 5, TYR 4, PHE 2 (residue and the binding sites it lines).

Found with

  • CL · Chloride ion
  • DMS · Dimethyl sulfoxide
  • TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol

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