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Related entries of code: 5wf6
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
3emlRCSB PDB    PDBbind488aa, >3EML_1|Chain... at 99%
3qakRCSB PDB    PDBbind488aa, >3QAK_1|Chain... at 99%
5wf5RCSB PDB    PDBbind504aa, >5WF5_1|Chain... *
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
3qakRCSB PDB    PDBbindUKA
5wf5RCSB PDB    PDBbindUKA
Entry Information
PDB ID5wf6
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameHuman A2a adenosine receptor T4L chimera S91A
Ligand NameUKA
EC.Number E.C.3.2.1.17
Resolution 2.9(Å)
Affinity (Kd/Ki/IC50)Ki=14.7nM
Release Year2018
Protein/NA SequenceCheck fasta file
Primary Reference (2018) Structure Vol. 26: pp. 259-269.e5
Ligand Properties
Formula C40H47N11O6
Molecular Weight 777.871
Exact Mass 777.371
No. of atoms 104
No. of bonds 110
Polar Surface Area 220.78
LOGP Value 2.92      (Computed with XLOGP3)
3.62      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 7
No. of Hydrogen Bond Acceptors: 9
No. of Rotatable Bonds: 20
No. of Nitrogen and Oxygen Atoms: 17
No. of Rings: 7
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): P29274  P00720  
Entrez Gene IDNCBI Entrez Gene ID: 135  1258585  
ASDInformation of known allosteric effects of PDB entries
 
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