Browse entries in the PDBbind-CN Database

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Related entries of code: 5g53
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
No similar entries are found!
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
2ydvRCSB PDB    PDBbindNEC
6d28RCSB PDB    PDBbindNEC
6gdgRCSB PDB    PDBbindNEC

Entry Information
PDB ID5g53
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Nameadenosine A2A receptor bound to an engineered G protein (A2AR-mini-GS complex)
Ligand NameNEC
EC.Number E.C.-.-.-.-
Resolution 3.4(Å)
Affinity (Kd/Ki/IC50)Ki=430nM
Release Year2016
Protein/NA SequenceCheck fasta file
Primary Reference (2016) Nature Vol.536 : pp. 104-107
Ligand Properties
Formula C12H16N6O4
Molecular Weight 308.293
Exact Mass 308.123
No. of atoms 38
No. of bonds 40
Polar Surface Area 148.41
LOGP Value -1.54      (Computed with XLOGP3)
-0.86      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 6
No. of Rotatable Bonds: 6
No. of Nitrogen and Oxygen Atoms: 10
No. of Rings: 3
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): P63092  P29274  
Entrez Gene IDNCBI Entrez Gene ID: 2778  135  
ASDInformation of known allosteric effects of PDB entries

 
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