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Related entries of code: 5vjn
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
5vjpRCSB PDB    PDBbind187aa, >5VJP_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 ID5vjn
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameAdenine phosphoribosyltransferase 1
Ligand NameIR8
EC.Number E.C.-.-.-.-
Resolution 1.78(Å)
Affinity (Kd/Ki/IC50)Ki=8.7uM
Release Year2017
Protein/NA SequenceCheck fasta file
Primary Reference (2018) ACS Chem. Biol. Vol. 13: pp. 152-160
Ligand Properties
Formula C6H18NO10P2
Molecular Weight 326.155
Exact Mass 326.041
No. of atoms 37
No. of bonds 37
Polar Surface Area 224.09
LOGP Value -7.70      (Computed with XLOGP3)
-3.07      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 8
No. of Rotatable Bonds: 6
No. of Nitrogen and Oxygen Atoms: 11
No. of Rings: 1
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): P49435  
Entrez Gene IDNCBI Entrez Gene ID: 854986  
ASDInformation of known allosteric effects of PDB entries
 
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