Browse entries in the PDBbind-CN Database

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Related entries of code: 3ti8
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
3ti3RCSB PDB    PDBbindLNV
3tiaRCSB PDB    PDBbindLNV
4hzwRCSB PDB    PDBbindLNV
4mwuRCSB PDB    PDBbindLNV
4mwyRCSB PDB    PDBbindLNV
Entry Information
PDB ID3ti8
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Nameinfluenza A virus neuraminidase N5
Ligand NameLNV
EC.Number E.C.-.-.-.-
Resolution 1.6(Å)
Affinity (Kd/Ki/IC50)IC50=0.90nM
Release Year2011
Protein/NA SequenceCheck fasta file
Primary Reference (2011) Plos Pathog. Vol. 7: pp. e1002249-e1002249
Ligand Properties
Formula C13H25N4O7
Molecular Weight 349.360
Exact Mass 349.172
No. of atoms 49
No. of bonds 49
Polar Surface Area 191.33
LOGP Value -0.62      (Computed with XLOGP3)
-3.38      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 9
No. of Nitrogen and Oxygen Atoms: 11
No. of Rings: 1
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): A1ILL9  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries
 
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