Browse entries in the PDBbind-CN Database

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Related entries of code: 3gs6
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
2oxnRCSB PDB    PDBbind340aa, >2OXN_1|Chain... *
3gsmRCSB PDB    PDBbind340aa, >3GSM_1|Chain... at 99%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
2wcaRCSB PDB    PDBbindNP6

Entry Information
PDB ID3gs6
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameVibrio Cholerea family 3 glycoside hydrolase (NagZ)
Ligand NameNP6
EC.Number E.C.3.2.1.52
Resolution 2.3(Å)
Affinity (Kd/Ki/IC50)Ki=0.26uM
Release Year2009
Protein/NA SequenceCheck fasta file
Primary Reference (2009) Protein Sci. Vol. 18: pp. 1541-1551
Ligand Properties
Formula C17H23N3O7
Molecular Weight 381.380
Exact Mass 381.154
No. of atoms 50
No. of bonds 51
Polar Surface Area 149.71
LOGP Value 0.55      (Computed with XLOGP3)
0.41      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 5
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 12
No. of Nitrogen and Oxygen Atoms: 10
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): Q9KU37  
Entrez Gene IDNCBI Entrez Gene ID: 57739406  
ASDInformation of known allosteric effects of PDB entries

 
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