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Ligand · 141

141 · Oxypurinol

141, Oxypurinol (C5 H4 N4 O2, 152.1 g/mol), in the MolNFT structures on GenesisL1: bound in 9 records (7 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and the ligands found with it.

Component
141
Formula
C5 H4 N4 O2
Class
ligand
Structures
9
PDB entries
7

Binding sites

141 in 9 structures; the first of them:

  • 1JRP · Crystal Structure of Xanthine Dehydrogenase inhibited by alloxanthine from Rhodobacter… · 141 B4000 · binds GLU232, LEU303, ARG310, ALA340, PHE344, SER458, PHE459, THR460 and 3 more
  • 3BDJ · Crystal Structure of Bovine Milk Xanthine Dehydrogenase with a Covalently Bound… · 141 A5101 · binds GLU802, ARG880, ALA910, PHE914, SER1008, PHE1009, THR1010, ALA1078 and 2 more
  • 8J79 · Bovine Xanthine Oxidoreductase Crystallized with oxypurinol · 141 A1409 · binds GLU802, LEU873, ARG880, ALA910, PHE914, SER1008, PHE1009, THR1010 and 4 more
  • 8Q6N · Xanthin riboswitch in complex with oxypurinol · 141 A101 · binds A6, A9, G10, C11, G35, A39, U40, U41
  • 9E1G · Structure of RyR1 in the primed state in the presence of oxypurinol · 141 A5304 · binds PHE3753, GLU4239, ILE4242, GLN4246, TRP4716, ILE4996, TRP5011, TYR5014
  • 1JRP · Crystal structure of xanthine dehydrogenase inhibited by alloxanthine from rhodobacter… · 141 B4000 · binds GLU232, LEU303, ARG310, ALA340, PHE344, SER458, PHE459, THR460 and 3 more
  • 3BDJ · Crystal structure of bovine milk xanthine dehydrogenase with a covalently bound… · 141 A5101 · binds GLU802, ARG880, ALA910, PHE914, SER1008, PHE1009, THR1010, ALA1078 and 2 more
  • 7D6O · Oxidized structure of bovine xanthine oxidoreductase bound with oxypurinol. · 141 B1408 · binds GLU802, LEU873, SER876, ARG880, PHE914, SER1008, PHE1009, THR1010 and 3 more
  • 7DNV · Oxidized structure of bovine xanthine oxidoreductase bound with oxypurinol. · 141 B1408 · binds GLU802, LEU873, SER876, ARG880, PHE914, SER1008, PHE1009, THR1010 and 3 more

Residues it binds most

ALA 16, PHE 20, GLU 20, SER 16, ARG 16, THR 16, LEU 10, ILE 4, TRP 4, GLN 4 (residue and the binding sites it lines).

Found with

  • CA · Calcium ion
  • FAD · Flavin-adenine dinucleotide
  • FES · Fe2/s2 (inorganic) cluster
  • 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
  • MOS · Dioxothiomolybdenum(vi) ion
  • CO3 · Carbonate ion
  • GOL · Glycerol
  • MOW · Oxo(sulfanyl)molybdenum(IV) ION
  • ATP · Adenosine-5'-triphosphate
  • ZN · Zinc ion

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