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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 2 records (2 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
2
PDB entries
2

Binding sites

W1P in 2 structures; the first of them:

  • 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

LEU 3, ALA 3, ILE 3, ASN 2, VAL 2, CYS 2, ASP 1, GLU 1, GLY 1, LYS 1 (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
  • MES · 2-(N-morpholino)-ethanesulfonic acid

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