Browse entries in the PDBbind-CN Database

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Related entries of code: 3pwh
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
2ydoRCSB PDB    PDBbind325aa, >2YDO_1|Chain... at 93%
2ydvRCSB PDB    PDBbind325aa, >2YDV_1|Chain... at 93%
3reyRCSB PDB    PDBbind329aa, >3REY_1|Chain... at 91%
3uzaRCSB PDB    PDBbind329aa, >3UZA_1|Chain... at 91%
3uzcRCSB PDB    PDBbind329aa, >3UZC_1|Chain... at 91%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
3emlRCSB PDB    PDBbindZMA
5iu4RCSB PDB    PDBbindZMA
6aqfRCSB PDB    PDBbindZMA

Entry Information
PDB ID3pwh
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameAdenosine receptor A2a (A54L T88A K122A V239A R107A L202A L235A S277A mutation)
Ligand NameZMA
EC.Number E.C.-.-.-.-
Resolution 3.3(Å)
Affinity (Kd/Ki/IC50)Kd=1.9nM
Release Year2011
Protein/NA SequenceCheck fasta file
Primary Reference (2011) Structure Vol. 19: pp. 1283-1293
Ligand Properties
Formula C16H15N7O2
Molecular Weight 337.336
Exact Mass 337.129
No. of atoms 40
No. of bonds 43
Polar Surface Area 127.39
LOGP Value 2.20      (Computed with XLOGP3)
2.38      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 6
No. of Nitrogen and Oxygen Atoms: 9
No. of Rings: 4
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  
Entrez Gene IDNCBI Entrez Gene ID: 135  
ASDInformation of known allosteric effects of PDB entries

 
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