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Ligand · WKY

WKY · N-(3-methylpyridin-4-yl)acetamide

WKY, N-(3-methylpyridin-4-yl)acetamide (C8 H10 N2 O, 150.2 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 the ligands…

Component
WKY
Formula
C8 H10 N2 O
Class
ligand
Structures
5
PDB entries
4

Binding sites

WKY in 5 structures; the first of them:

  • 5SA2 · PanDDA analysis group deposition -- Crystal Structure of Trypanosoma brucei Trypanothione… · WKY B506 · binds ARG355, ILE451, SER452, TYR455, ASN456, ARG472
  • 7HOE · Group deposition for crystallographic fragment screening of Coxsackievirus A16 (G-10) 2A… · WKY B201 · binds HIS21, SER87, TYR89, SER105, GLU106, PRO107, CYS110, VAL124 and 4 more
  • 5RXR · INPP5D pandda analysis group deposition -- crystal structure of the phosphatase and C2… · WKY A901 · binds ARG623, ARG624, PHE629, LEU630, HIS631, PHE632, GLU633
  • 5S5J · Tubulin-Z1148747945-complex · WKY B505 · binds GLY100, ASN102, LYS105, TRP407, THR253, GLN256, THR257
  • 5SA2 · Pandda analysis group deposition -- crystal structure of trypanosoma brucei trypanothione… · WKY B506 · binds ARG355, ILE451, SER452, TYR455, ASN456, ARG472

Residues it binds most

ARG 3, SER 3, ASN 3, GLY 2, THR 2, TYR 3, GLU 2, HIS 2, ILE 2, PHE 1 (residue and the binding sites it lines).

Found with

  • DMS · Dimethyl sulfoxide
  • MG · Magnesium ion
  • FAD · Flavin-adenine dinucleotide
  • BR · Bromide ion
  • ACP · Phosphomethylphosphonic acid adenylate ester
  • GDP · Guanosine-5'-diphosphate
  • GTP · Guanosine-5'-triphosphate
  • CA · Calcium ion
  • ZN · Zinc ion
  • MES · 2-(N-morpholino)-ethanesulfonic acid

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