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Ligand · A1AQB

A1AQB · (2M)-2-(3-aminophenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one

A1AQB, (2M)-2-(3-aminophenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one (C10 H11 N3 O, 189.2 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (2 PDB entries). Every binding site with its residues within 4.5 Å, the residues it…

Component
A1AQB
Formula
C10 H11 N3 O
Class
ligand
Structures
2
PDB entries
2

Binding sites

A1AQB in 2 structures; the first of them:

  • 7H7Q · Group deposition for crystallographic fragment screening of Chikungunya virus nsP3… · A1AQB B204 · binds THR111, GLY112, SER115, GLY117, LYS118, ASP119, ASP145, TRP148
  • 7HKW · Group deposition for crystallographic fragment screening of the NS5 RNA-dependent RNA… · A1AQB A1012 · binds SER832, GLU834, PRO884, SER885, ARG890

Residues it binds most

ASP 3, GLY 3, SER 4, LYS 3, THR 3, TRP 3, ARG 1, GLU 1, PRO 1 (residue and the binding sites it lines).

Found with

  • DMS · Dimethyl sulfoxide
  • ZN · Zinc ion
  • CL · Chloride ion
  • PO4 · Phosphate ion
  • MES · 2-(N-morpholino)-ethanesulfonic acid
  • PEG · Di(hydroxyethyl)ether

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