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Related entries of code: 3ti6
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
3ckzRCSB PDB    PDBbind385aa, >3CKZ_1|Chain... at 90%
3cl0RCSB PDB    PDBbind385aa, >3CL0_1|Chain... at 90%
3cl2RCSB PDB    PDBbind385aa, >3CL2_1|Chains... at 90%
3ti3RCSB PDB    PDBbind388aa, >3TI3_1|Chains... at 98%
3ti4RCSB PDB    PDBbind388aa, >3TI4_1|Chains... at 98%
3ti5RCSB PDB    PDBbind388aa, >3TI5_1|Chains... at 98%
4b7jRCSB PDB    PDBbind469aa, >4B7J_1|Chain... *
4b7nRCSB PDB    PDBbind469aa, >4B7N_1|Chain... at 100%
4b7qRCSB PDB    PDBbind469aa, >4B7Q_1|Chains... at 99%
4b7rRCSB PDB    PDBbind387aa, >4B7R_1|Chains... at 98%
5nweRCSB PDB    PDBbind388aa, >5NWE_1|Chains... at 98%
5nz4RCSB PDB    PDBbind388aa, >5NZ4_1|Chains... at 98%
5nzeRCSB PDB    PDBbind388aa, >5NZE_1|Chains... at 98%
5nzfRCSB PDB    PDBbind388aa, >5NZF_1|Chains... at 98%
5nznRCSB PDB    PDBbind388aa, >5NZN_1|Chains... at 98%
6hp0RCSB PDB    PDBbind388aa, >6HP0_1|Chains... at 98%
6g02RCSB PDB    PDBbind387aa, >6G02_1|Chains... at 98%
6g01RCSB PDB    PDBbind387aa, >6G01_1|Chains... at 98%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
2ya8RCSB PDB    PDBbindG39
3cl0RCSB PDB    PDBbindG39
3cl2RCSB PDB    PDBbindG39
3k3aRCSB PDB    PDBbindG39
4b7jRCSB PDB    PDBbindG39
4b7rRCSB PDB    PDBbindG39
4cpyRCSB PDB    PDBbindG39
4gzpRCSB PDB    PDBbindG39
4gztRCSB PDB    PDBbindG39
4hzxRCSB PDB    PDBbindG39
4hzzRCSB PDB    PDBbindG39
4mwqRCSB PDB    PDBbindG39
4mwwRCSB PDB    PDBbindG39
4qn7RCSB PDB    PDBbindG39
4x49RCSB PDB    PDBbindG39
5l15RCSB PDB    PDBbindG39
5nweRCSB PDB    PDBbindG39
5nz4RCSB PDB    PDBbindG39
5nzeRCSB PDB    PDBbindG39
5nzfRCSB PDB    PDBbindG39
5nznRCSB PDB    PDBbindG39
6eksRCSB PDB    PDBbindG39
Entry Information
PDB ID3ti6
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Name2009 pandemic H1N1 neuraminidase
Ligand NameG39
EC.Number E.C.-.-.-.-
Resolution 1.69(Å)
Affinity (Kd/Ki/IC50)IC50=0.54nM
Release Year2011
Protein/NA SequenceCheck fasta file
Primary Reference (2011) Plos Pathog. Vol. 7: pp. e1002249-e1002249
Ligand Properties
Formula C14H27N2O4
Molecular Weight 287.375
Exact Mass 287.197
No. of atoms 47
No. of bonds 47
Polar Surface Area 103.27
LOGP Value -0.55      (Computed with XLOGP3)
0.56      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 6
No. of Nitrogen and Oxygen Atoms: 6
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): C3W5S3  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries
 
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