Browse entries in the PDBbind-CN Database

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Related entries of code: 4f8h
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
3p4wRCSB PDB    PDBbind318aa, >3P4W_1|Chains... *
3p50RCSB PDB    PDBbind318aa, >3P50_1|Chains... at 100%
5l4eRCSB PDB    PDBbind317aa, >5L4E_1|Chains... at 98%
5l4hRCSB PDB    PDBbind317aa, >5L4H_1|Chains... at 98%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID4f8h
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameProton-gated ion channel
Ligand NameRKE
EC.Number E.C.-.-.-.-
Resolution 2.99(Å)
Affinity (Kd/Ki/IC50)IC50=58uM
Release Year2012
Protein/NA SequenceCheck fasta file
Primary Reference (2012) Structure Vol. 20: pp. 1463-1469
Ligand Properties
Formula C13H17ClNO
Molecular Weight 238.733
Exact Mass 238.100
No. of atoms 33
No. of bonds 34
Polar Surface Area 33.68
LOGP Value 2.56      (Computed with XLOGP3)
1.87      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 1
No. of Rotatable Bonds: 2
No. of Nitrogen and Oxygen Atoms: 2
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): Q7NDN8  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries
 
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