Browse entries in the PDBbind-CN Database

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Related entries of code: 5xw6
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
1i5dRCSB PDB    PDBbind128
2gvdRCSB PDB    PDBbind128
2pmkRCSB PDB    PDBbind128
5a3sRCSB PDB    PDBbind128

Entry Information
PDB ID5xw6
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameP2X purinoceptor
Ligand Name128
EC.Number E.C.-.-.-.-
Resolution 3.1(Å)
Affinity (Kd/Ki/IC50)Kd=12.26uM
Release Year2017
Protein/NA SequenceCheck fasta file
Primary Reference (2017) Nat Commun Vol. 8: pp. 876-876
Ligand Properties
Formula C16H20N8O19P3
Molecular Weight 721.293
Exact Mass 721.006
No. of atoms 66
No. of bonds 70
Polar Surface Area 444.84
LOGP Value -5.15      (Computed with XLOGP3)
-0.05      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 16
No. of Rotatable Bonds: 7
No. of Nitrogen and Oxygen Atoms: 27
No. of Rings: 5
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): E1C6P3  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries

 
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