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Related entries of code: 3k37
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%
3k39RCSB PDB    PDBbind397aa, >3K39_1|Chains... at 96%
3k3aRCSB PDB    PDBbind397aa, >3K3A_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
2f10RCSB PDB    PDBbindBCZ
3k39RCSB PDB    PDBbindBCZ
4mwvRCSB PDB    PDBbindBCZ
4mx0RCSB PDB    PDBbindBCZ
Entry Information
PDB ID3k37
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameB/Perth Neuraminidase
Ligand NameBCZ
EC.Number E.C.3.2.1.18
Resolution 2(Å)
Affinity (Kd/Ki/IC50)Ki=1.2nM
Release Year2010
Protein/NA SequenceCheck fasta file
Primary Reference (2010) J.Med.Chem. Vol. 53: pp. 6421-6431
Ligand Properties
Formula C15H29N4O4
Molecular Weight 329.415
Exact Mass 329.219
No. of atoms 52
No. of bonds 52
Polar Surface Area 152.64
LOGP Value 3.30      (Computed with XLOGP3)
-0.48      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 8
No. of Nitrogen and Oxygen Atoms: 8
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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