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Ligand · YSH

YSH · 1-[3-cyano-4-(neopentyloxy)phenyl]-1H-pyrazole-4-carboxylic acid

YSH, 1-[3-cyano-4-(neopentyloxy)phenyl]-1H-pyrazole-4-carboxylic acid (C16 H17 N3 O3, 299.3 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5 Å, the residues it…

Component
YSH
Formula
C16 H17 N3 O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

YSH in 2 structures; the first of them:

  • 1VDV · Bovine Milk Xanthine Dehydrogenase Y-700 Bound Form · YSH A5101 · binds LEU648, PHE649, ASN768, LYS771, GLU802, LEU873, SER876, ARG880 and 10 more
  • 1VDV · Bovine milk xanthine dehydrogenase Y-700 bound form · YSH A5101 · binds LEU648, PHE649, ASN768, LYS771, GLU802, LEU873, SER876, ARG880 and 10 more

Residues it binds most

PHE 4, LEU 4, SER 4, ALA 4, GLU 4, ARG 4, ASN 4, LYS 4, PRO 4, THR 4 (residue and the binding sites it lines).

Found with

  • FAD · Flavin-adenine dinucleotide
  • FES · Fe2/s2 (inorganic) cluster
  • MOS · Dioxothiomolybdenum(vi) ion
  • MTE · Phosphonic acidmono-(2-amino-5,6-dimercapto-4-oxo-3,7,8A,9,10,10A-hexahydro-4H-8-oxa-1,3,9,10-tetraaza-anthracen-7-ylmethyl)ester
  • CA · Calcium ion
  • ACY · Acetic acid
  • GOL · Glycerol

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