Browse entries in the PDBbind-CN Database

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Related entries of code: 3tib
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1ingRCSB PDB    PDBbind388aa, >1ING_1|Chains... at 96%
1inhRCSB PDB    PDBbind388aa, >1INH_1|Chains... at 96%
3tiaRCSB PDB    PDBbind469aa, >3TIA_1|Chains... *
3ticRCSB PDB    PDBbind469aa, >3TIC_1|Chains... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
3ti4RCSB PDB    PDBbindLVO

Entry Information
PDB ID3tib
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Name1957 pandemic H2N2 neuraminidase
Ligand NameLVO
EC.Number E.C.-.-.-.-
Resolution 2.2(Å)
Affinity (Kd/Ki/IC50)IC50=129nM
Release Year2011
Protein/NA SequenceCheck fasta file
Primary Reference (2011) Plos Pathog. Vol. 7: pp. e1002249-e1002249
Ligand Properties
Formula C14H25N4O8
Molecular Weight 377.370
Exact Mass 377.167
No. of atoms 51
No. of bonds 51
Polar Surface Area 197.4
LOGP Value -0.03      (Computed with XLOGP3)
-2.57      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 10
No. of Nitrogen and Oxygen Atoms: 12
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): Q194T1  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries

 
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