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Related entries of code: 3k3a
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1a4gRCSB PDB    PDBbind390aa, >1A4G_1|Chains... at 93%
1a4qRCSB PDB    PDBbind390aa, >1A4Q_1|Chains... at 93%
1b9sRCSB PDB    PDBbind390aa, >1B9S_1|Chain... at 91%
1b9tRCSB PDB    PDBbind390aa, >1B9T_1|Chain... at 91%
1b9vRCSB PDB    PDBbind390aa, >1B9V_1|Chain... at 91%
1infRCSB PDB    PDBbind390aa, >1INF_1|Chain... at 91%
1vcjRCSB PDB    PDBbind389aa, >1VCJ_1|Chain... at 91%
3k37RCSB PDB    PDBbind397aa, >3K37_1|Chains... at 96%
3k39RCSB PDB    PDBbind397aa, >3K39_1|Chains... at 96%
4cpyRCSB PDB    PDBbind466aa, >4CPY_1|Chains... *
4cpzRCSB PDB    PDBbind466aa, >4CPZ_1|Chains... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
2ya8RCSB PDB    PDBbindG39
3cl0RCSB PDB    PDBbindG39
3cl2RCSB PDB    PDBbindG39
3ti6RCSB 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 ID3k3a
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameB/Perth Neuraminidase D197E mutant
Ligand NameG39
EC.Number E.C.3.2.1.18
Resolution 2.59(Å)
Affinity (Kd/Ki/IC50)Ki=84.0nM
Release Year2010
Protein/NA SequenceCheck fasta file
Primary Reference (2010) J.Med.Chem. Vol. 53: pp. 6421-6431
Ligand Properties
Formula C14H25N2O4
Molecular Weight 285.359
Exact Mass 285.181
No. of atoms 45
No. of bonds 45
Polar Surface Area 103.27
LOGP Value -0.95      (Computed with XLOGP3)
0.48      (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): Q3S340  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries
 
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