Browse entries in the PDBbind-CN Database

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Related entries of code: 3nrz
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
No similar entries are found!
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
1a9qRCSB PDB    PDBbindHPA
1vfnRCSB PDB    PDBbindHPA

Entry Information
PDB ID3nrz
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameXanthine dehydrogenase/oxidase
Ligand NameHPA
EC.Number E.C.1.17.1.4
Resolution 1.8(Å)
Affinity (Kd/Ki/IC50)Kd=4.6uM
Release Year2010
Protein/NA SequenceCheck fasta file
Primary Reference (2010) J.Biol.Chem. Vol. 285: pp. 28044-28053
Ligand Properties
Formula C5H4N4O
Molecular Weight 136.111
Exact Mass 136.039
No. of atoms 14
No. of bonds 15
Polar Surface Area 74.43
LOGP Value -0.49      (Computed with XLOGP3)
-0.35      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 0
No. of Nitrogen and Oxygen Atoms: 5
No. of Rings: 2
Canonical SMILES
InChI String

Links to External Databases
RCSB PDBThe mother database
PDBsumEnhanced annotations on PDB entries
PubchemComprehensive collection of chemical and biological data
UniProtKB ACUniProt accession number (AC): P80457  
Entrez Gene IDNCBI Entrez Gene ID: 280960  
ASDInformation of known allosteric effects of PDB entries

 
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