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Related entries of code: 2w68
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
No similar entries are found!
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
2qwbRCSB PDB    PDBbindSIA
2zg1RCSB PDB    PDBbindSIA
2zg3RCSB PDB    PDBbindSIA
3qndRCSB PDB    PDBbindSIA
4d62RCSB PDB    PDBbindSIA
4d63RCSB PDB    PDBbindSIA
4dj7RCSB PDB    PDBbindSIA
4gzwRCSB PDB    PDBbindSIA
4gzxRCSB PDB    PDBbindSIA
4nrkRCSB PDB    PDBbindSIA
4nrlRCSB PDB    PDBbindSIA
4yw2RCSB PDB    PDBbindSIA

Entry Information
PDB ID2w68
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameCBM40 from V. cholerae sialidase
Ligand NameSIA
EC.Number E.C.
Resolution 2.5(Å)
Affinity (Kd/Ki/IC50)Kd=18uM
Release Year2008
Protein/NA SequenceCheck fasta file
Primary Reference(2009) J.Biol.Chem. Vol. 284: pp. 7339-7351
Ligand Properties
Formula C23H39NO19
Molecular Weight 633.551
Exact Mass 633.212
No. of atoms 82
No. of bonds 84
Polar Surface Area 335.08
LOGP Value -6.32      (Computed with XLOGP3)
-7.83      (Computed with Open Babel)
Drug likenessNo. of Hydrogen Bond Donors: 12
No. of Hydrogen Bond Acceptors: 14
No. of Rotatable Bonds: 22
No. of Nitrogen and Oxygen Atoms: 20
No. of Rings: 3
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): P0C6E9  
Entrez Gene IDNCBI Entrez Gene ID: 2613664  
ASDInformation of known allosteric effects of PDB entries

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