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Related entries of code: 2mas
Entries with 90% protein sequence similarity cutoff in PDBbind
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No similar entries are found!
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID2mas
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein Namepurine nucleoside hydrolase
Ligand NamePIR
EC.Number E.C.3.2.2.1
Resolution 2.3(Å)
Affinity (Kd/Ki/IC50)Kd=30nM
Release Year1997
Protein/NA SequenceCheck fasta file
Primary Reference Biochemistry v37 pp. 6277-85, 1998
Ligand Properties
Formula C11H17N2O3
Molecular Weight 225.264
Exact Mass 225.124
No. of atoms 33
No. of bonds 34
Polar Surface Area 103.32
LOGP Value -0.88      (Computed with XLOGP3)
0.12      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 5
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 5
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): Q27546  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries
 
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