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Related entries of code: 6eks
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
2w68RCSB PDB    PDBbind195aa, >2W68_1|Chains... at 98%
6ekuRCSB PDB    PDBbind757aa, >6EKU_1|Chain... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
2ya8RCSB PDB    PDBbindG39
3cl0RCSB PDB    PDBbindG39
3cl2RCSB PDB    PDBbindG39
3k3aRCSB 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
Entry Information
PDB ID6eks
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameVibrio cholerae neuraminidase
Ligand NameG39
EC.Number E.C.-.-.-.-
Resolution 1.87(Å)
Affinity (Kd/Ki/IC50)IC50=144uM
Release Year2017
Protein/NA SequenceCheck fasta file
Primary Reference (2017) Molecules Vol. 22: pp. 1-18
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): P0C6E9  
Entrez Gene IDNCBI Entrez Gene ID: 57740427  
ASDInformation of known allosteric effects of PDB entries
 
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