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Related entries of code: 3f8w
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
3djfRCSB PDB    PDBbind287aa, >3DJF_1|Chains... *
3e0qRCSB PDB    PDBbind287aa, >3E0Q_1|Chains... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
1dgmRCSB PDB    PDBbindADN
1odiRCSB PDB    PDBbindADN
2fqyRCSB PDB    PDBbindADN
2gl0RCSB PDB    PDBbindADN
2ydoRCSB PDB    PDBbindADN
3axzRCSB PDB    PDBbindADN
3ay0RCSB PDB    PDBbindADN
4ckiRCSB PDB    PDBbindADN
4ckjRCSB PDB    PDBbindADN
4pd9RCSB PDB    PDBbindADN
4zmeRCSB PDB    PDBbindADN
5aqfRCSB PDB    PDBbindADN
5km9RCSB PDB    PDBbindADN
5lvnRCSB PDB    PDBbindADN
6exiRCSB PDB    PDBbindADN
Entry Information
PDB ID3f8w
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameS. mansoni, purine nucleoside phosphorylase,SmPNP
Ligand NameADN
EC.Number E.C.2.4.2.1
Resolution 2.3(Å)
Affinity (Kd/Ki/IC50)IC50=82.3uM
Release Year2009
Protein/NA SequenceCheck fasta file
Primary Reference (2010) Acta Crystallogr.,Sect.D Vol. 66: pp. 73-79
Ligand Properties
Formula C10H16N5O4
Molecular Weight 270.265
Exact Mass 270.120
No. of atoms 35
No. of bonds 37
Polar Surface Area 139.77
LOGP Value -3.20      (Computed with XLOGP3)
-3.24      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 5
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 9
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): Q9BMI9  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries
 
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