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Related entries of code: 4qkx
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
3p0gRCSB PDB    PDBbind126aa, >3P0G_2|Chain... *
6h7jRCSB PDB    PDBbind121aa, >6H7J_3|Chains... at 99%
6iblRCSB PDB    PDBbind121aa, >6IBL_2|Chains... at 99%
6h7lRCSB PDB    PDBbind121aa, >6H7L_3|Chains... at 92%
6h7mRCSB PDB    PDBbind121aa, >6H7M_3|Chains... at 92%
6h7nRCSB PDB    PDBbind121aa, >6H7N_3|Chains... at 92%
6h7oRCSB PDB    PDBbind121aa, >6H7O_3|Chains... at 92%
6n48RCSB PDB    PDBbind120aa, >6N48_2|Chain... at 93%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID4qkx
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameBeta-2 adrenergic receptor
Ligand Name35V
EC.Number E.C.3.2.1.17
Resolution 3.3(Å)
Affinity (Kd/Ki/IC50)Ki=85nM
Release Year2014
Protein/NA SequenceCheck fasta file
Primary Reference (2014) Proc.Natl.Acad.Sci.USA Vol. 111: pp. 10744-10748
Ligand Properties
Formula C19H26NO5S
Molecular Weight 380.478
Exact Mass 380.153
No. of atoms 52
No. of bonds 53
Polar Surface Area 134.56
LOGP Value 2.12      (Computed with XLOGP3)
1.25      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 14
No. of Nitrogen and Oxygen Atoms: 6
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): P07550  P00720  
Entrez Gene IDNCBI Entrez Gene ID: 154  1258585  
ASDInformation of known allosteric effects of PDB entries
 
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