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Related entries of code: 4i71
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
4i72RCSB PDB    PDBbind330aa, >4I72_1|Chains... at 100%
4i73RCSB PDB    PDBbind330aa, >4I73_1|Chains... at 100%
4i74RCSB PDB    PDBbind330aa, >4I74_1|Chain... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID4i71
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameInosine-adenosine-guanosine-nucleoside hydrolase
Ligand NameAGV
EC.Number E.C.3.2.2.1
Resolution 1.28(Å)
Affinity (Kd/Ki/IC50)Ki=18nM
Release Year2013
Protein/NA SequenceCheck fasta file
Primary Reference (2013) Acta Crystallogr.,Sect.D Vol. 69: pp. 1553-1566
Ligand Properties
Formula C12H18N5O3
Molecular Weight 280.303
Exact Mass 280.141
No. of atoms 38
No. of bonds 40
Polar Surface Area 132.72
LOGP Value -1.62      (Computed with XLOGP3)
-0.83      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 6
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 6
No. of Nitrogen and Oxygen Atoms: 8
No. of Rings: 3
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): Q57ZL6  
Entrez Gene IDNCBI Entrez Gene ID: 3656230  
ASDInformation of known allosteric effects of PDB entries
 
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