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Ligand · A1AJZ

A1AJZ · 4-(2-hydroxyethyl)-5-methyl-1,2-dihydro-3H-pyrazol-3-one

A1AJZ, 4-(2-hydroxyethyl)-5-methyl-1,2-dihydro-3H-pyrazol-3-one (C6 H10 N2 O2, 142.2 g/mol), in the MolNFT structures on GenesisL1: bound in 3 records (3 PDB entries). Every binding site with its residues within 4.5 Å, the residues it…

Component
A1AJZ
Formula
C6 H10 N2 O2
Class
ligand
Structures
3
PDB entries
3

Binding sites

A1AJZ in 3 structures; the first of them:

  • 7H24 · PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in… · A1AJZ B202 · binds ASP129, TYR130, PRO131, ALA132, SER135, TYR150, GLY151, TYR161
  • 7H6T · Group deposition for crystallographic fragment screening of Chikungunya virus nsP3… · A1AJZ C207 · binds LEU108, THR111, GLY112, TYR142, CYS143, ARG144, ASP145, TRP148
  • 7HIG · Group deposition for combi-soaks of Chikungunya virus nsP3 macrodomain -- Crystal… · A1AJZ A207 · binds THR111, GLY112, LYS118, ASP119, ASP145, TRP148

Residues it binds most

ASP 4, GLY 4, TYR 2, THR 3, TRP 3, SER 2, ALA 1, ARG 1, CYS 1, LEU 1 (residue and the binding sites it lines).

Found with

  • DMS · Dimethyl sulfoxide
  • CL · Chloride ion
  • TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol
  • K34 · 5-(1,3-thiazol-2-yl)-1H-1,2,4-triazole

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