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Related entries of code: 1pwy
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1pf7RCSB PDB    PDBbind289aa, >1PF7_1|Chain... at 98%
1rr6RCSB PDB    PDBbind289aa, >1RR6_1|Chain... at 98%
1rt9RCSB PDB    PDBbind289aa, >1RT9_1|Chain... at 98%
1v2hRCSB PDB    PDBbind288aa, >1V2H_1|Chain... at 98%
1v41RCSB PDB    PDBbind288aa, >1V41_1|Chain... at 98%
2oc4RCSB PDB    PDBbind289aa, >2OC4_1|Chain... at 98%
2oc9RCSB PDB    PDBbind289aa, >2OC9_1|Chain... at 98%
2on6RCSB PDB    PDBbind289aa, >2ON6_1|Chain... at 98%
2q7oRCSB PDB    PDBbind289aa, >2Q7O_1|Chain... at 98%
3bgsRCSB PDB    PDBbind289aa, >3BGS_1|Chain... at 98%
3d1vRCSB PDB    PDBbind289aa, >3D1V_1|Chain... at 98%
3inyRCSB PDB    PDBbind289aa, >3INY_1|Chain... at 98%
3k8oRCSB PDB    PDBbind289aa, >3K8O_1|Chains... at 98%
3k8qRCSB PDB    PDBbind289aa, >3K8Q_1|Chain... at 98%
4earRCSB PDB    PDBbind324aa, >4EAR_1|Chains... *
4eb8RCSB PDB    PDBbind324aa, >4EB8_1|Chains... at 100%
5etjRCSB PDB    PDBbind324aa, >5ETJ_1|Chains... at 98%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID1pwy
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Namepurine nucleoside phosphorylase
Ligand NameAC2
EC.Number E.C.2.4.2.1
Resolution 2.8(Å)
Affinity (Kd/Ki/IC50)Ki=90uM
Release Year2004
Protein/NA SequenceCheck fasta file
Primary Reference Biochem.Biophys.Res.Comm. v308 pp. 553-9, 2003
Ligand Properties
Formula C8H11N5O3
Molecular Weight 225.205
Exact Mass 225.086
No. of atoms 27
No. of bonds 28
Polar Surface Area 119.05
LOGP Value -1.92      (Computed with XLOGP3)
-0.75      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 8
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): P00491  
Entrez Gene IDNCBI Entrez Gene ID: 4860  
ASDInformation of known allosteric effects of PDB entries
 
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