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Related entries of code: 1vcj
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%
3k37RCSB PDB    PDBbind397aa, >3K37_1|Chains... at 96%
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
No complexes with the same small molecule ligand are found!

Entry Information
PDB ID1vcj
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Nameneuraminidase
Ligand NameIBA
EC.Number E.C.3.2.1.18
Resolution 2.4(Å)
Affinity (Kd/Ki/IC50)IC50=26uM
Release Year2004
Protein/NA SequenceCheck fasta file
Primary Reference ACTA CRYSTALLOGR.,SECT.D v60 pp. 1017-23, 2004
Ligand Properties
Formula C18H28N3O4
Molecular Weight 350.433
Exact Mass 350.208
No. of atoms 53
No. of bonds 54
Polar Surface Area 117.51
LOGP Value -0.23      (Computed with XLOGP3)
1.22      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 8
No. of Nitrogen and Oxygen Atoms: 7
No. of Rings: 2
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): P03474  
Entrez Gene IDNCBI Entrez Gene ID: 26824004  
ASDInformation of known allosteric effects of PDB entries

 
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