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Related entries of code: 5yve
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
5svkRCSB PDB    PDBbind363aa, >5SVK_1|Chains... *
5svlRCSB PDB    PDBbind363aa, >5SVL_1|Chains... at 99%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID5yve
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameP2X3
Ligand NameAF9
EC.Number E.C.-.-.-.-
Resolution 3.4(Å)
Affinity (Kd/Ki/IC50)IC50=0.33uM
Release Year2018
Protein/NA SequenceCheck fasta file
Primary Reference (2018) Proc. Natl. Acad. Sci. U.S.A. Vol. 115: pp. 4939-4944
Ligand Properties
Formula C14H19N5O4S
Molecular Weight 353.397
Exact Mass 353.116
No. of atoms 43
No. of bonds 44
Polar Surface Area 164.82
LOGP Value 0.70      (Computed with XLOGP3)
4.16      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 9
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): P56373  
Entrez Gene IDNCBI Entrez Gene ID: 5024  
ASDInformation of known allosteric effects of PDB entries
 
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