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Related entries of code: 4h4b
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
5cr7RCSB PDB    PDBbind554aa, >5CR7_1|Chains... 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 ID4h4b
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameCytosolic purine 5'-nucleotidase
Ligand Name11H
EC.Number E.C.3.1.3.5
Resolution 2.9(Å)
Affinity (Kd/Ki/IC50)Ki=2.0mM
Release Year2012
Protein/NA SequenceCheck fasta file
Primary Reference (2013) Biochem Pharmacol Vol. 85: pp. 497-506
Ligand Properties
Formula C14H12O8S2
Molecular Weight 372.370
Exact Mass 371.997
No. of atoms 36
No. of bonds 38
Polar Surface Area 206.12
LOGP Value 0.53      (Computed with XLOGP3)
3.63      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 8
No. of Rotatable Bonds: 0
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): P49902  
Entrez Gene IDNCBI Entrez Gene ID: 22978  
ASDInformation of known allosteric effects of PDB entries

 
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