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Ligand · W1P

W1P · 5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one

W1P, 5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one (C10 H10 N2 O, 174.2 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…

Component
W1P
Formula
C10 H10 N2 O
Class
ligand
Structures
5
PDB entries
4

Binding sites

W1P in 5 structures; the first of them:

  • 5S52 · Tubulin-Z50145861-complex · W1P B505 · binds THR179, VAL181, CYS241, LEU255, ASN258, MET259, THR314, VAL315 and 5 more
  • 7H39 · Group deposition for crystallographic fragment screening of Coxsackievirus A16 (G-10) 2A… · W1P A201 · binds VAL62, TYR63, TYR64, HIS71, ILE113, ARG115
  • 7H7G · Group deposition for crystallographic fragment screening of Chikungunya virus nsP3… · W1P A209 · binds THR111, GLY112, SER115, GLY117, LYS118, ASP119, ASP145, TRP148
  • 5S3I · Pandda analysis group deposition -- crystal structure of SARS-cov-2 NSP3 macrodomain in… · W1P B601 · binds GLY133, ALA134, ASP135, PRO136, ILE137, LEU160
  • 5S52 · Tubulin-Z50145861-complex · W1P B505 · binds THR179, VAL181, CYS241, LEU255, ASN258, MET259, VAL315, ALA316 and 4 more

Residues it binds most

ASP 5, GLY 5, LEU 5, ALA 5, ILE 6, THR 6, VAL 5, ASN 4, LYS 6, CYS 4 (residue and the binding sites it lines).

Found with

  • ACP · Phosphomethylphosphonic acid adenylate ester
  • GDP · Guanosine-5'-diphosphate
  • GTP · Guanosine-5'-triphosphate
  • CA · Calcium ion
  • MG · Magnesium ion
  • DMS · Dimethyl sulfoxide
  • MES · 2-(N-morpholino)-ethanesulfonic acid
  • ZN · Zinc ion
  • CL · Chloride ion
  • SO4 · Sulfate ion

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