Browse entries in the PDBbind-CN Database

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Related entries of code: 1a9q
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1b8nRCSB PDB    PDBbind284aa, >1B8N_1|Chain... at 99%
1b8oRCSB PDB    PDBbind284aa, >1B8O_1|Chain... at 99%
1lv8RCSB PDB    PDBbind289aa, >1LV8_1|Chains... *
1lvuRCSB PDB    PDBbind289aa, >1LVU_1|Chains... at 100%
1v48RCSB PDB    PDBbind289aa, >1V48_1|Chain... at 99%
1vfnRCSB PDB    PDBbind281aa, >1VFN_1|Chain... at 100%
3fucRCSB PDB    PDBbind284aa, >3FUC_1|Chains... at 99%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
1vfnRCSB PDB    PDBbindHPA
3nrzRCSB PDB    PDBbindHPA

Entry Information
PDB ID1a9q
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein Namebovine Purine nucleoside phosphorylase (PNP)
Ligand NameHPA
EC.Number E.C.2.4.2.1
Resolution 2(Å)
Affinity (Kd/Ki/IC50)Kd=0.68uM
Release Year1998
Protein/NA SequenceCheck fasta file
Primary Reference (2012) Bioorg. Med. Chem., Vol.20, pp.6758-6769
Ligand Properties
Formula C5H4N4O
Molecular Weight 136.111
Exact Mass 136.039
No. of atoms 14
No. of bonds 15
Polar Surface Area 74.43
LOGP Value -0.49      (Computed with XLOGP3)
-0.35      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 0
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): P55859  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries

 
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