Browse entries in the PDBbind-CN Database

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Related entries of code: 4twd
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
3rqwRCSB PDB    PDBbind322aa, >3RQW_1|Chains... *
4z90RCSB PDB    PDBbind322aa, >4Z90_1|Chains... at 100%
5lg3RCSB PDB    PDBbind307aa, >5LG3_1|Chains... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID4twd
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameCys-loop ligand-gated ion channel ELIC (F16S mutant)
Ligand Name377
EC.Number E.C.-.-.-.-
Resolution 3.2(Å)
Affinity (Kd/Ki/IC50)IC50=8.3uM
Release Year2014
Protein/NA SequenceCheck fasta file
Primary Reference (2014) Structure Vol. 22: pp. 1399-1407
Ligand Properties
Formula C12H22N
Molecular Weight 180.310
Exact Mass 180.175
No. of atoms 35
No. of bonds 37
Polar Surface Area 27.64
LOGP Value 2.75      (Computed with XLOGP3)
1.98      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 0
No. of Rotatable Bonds: 0
No. of Nitrogen and Oxygen Atoms: 1
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): P0C7B7  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries
 
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