Browse entries in the PDBbind-CN Database

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Related entries of code: 5afk
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
5afjRCSB PDB    PDBbind205aa, >5AFJ_1|Chains... at 100%
5aflRCSB PDB    PDBbind205aa, >5AFL_1|Chains... at 100%
5afmRCSB PDB    PDBbind207aa, >5AFM_2|Chain... *
5afnRCSB PDB    PDBbind207aa, >5AFN_1|Chains... at 100%
5ougRCSB PDB    PDBbind205aa, >5OUG_1|Chains... at 96%
5ouhRCSB PDB    PDBbind205aa, >5OUH_1|Chains... at 96%
5ouiRCSB PDB    PDBbind205aa, >5OUI_1|Chains... at 96%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!

Entry Information
PDB ID5afk
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Namealpha7-AChBP
Ligand Name5VU
EC.Number E.C.-.-.-.-
Resolution 2.46(Å)
Affinity (Kd/Ki/IC50)IC50=132uM
Release Year2015
Protein/NA SequenceCheck fasta file
Primary Reference (2015) Proc.Natl.Acad.Sci.USA Vol. 112: pp. E2543-E2552
Ligand Properties
Formula C11H12F2N2O
Molecular Weight 226.223
Exact Mass 226.092
No. of atoms 28
No. of bonds 29
Polar Surface Area 32.34
LOGP Value 1.80      (Computed with XLOGP3)
2.60      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 1
No. of Rotatable Bonds: 3
No. of Nitrogen and Oxygen Atoms: 3
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): P36544  P58154  
Entrez Gene IDNCBI Entrez Gene ID: 1139  89832  
ASDInformation of known allosteric effects of PDB entries

 
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