Browse entries in the PDBbind-CN Database

Display Options: Structure:  




Goto PDB code:

3D presentation of molecule is powered by 3Dmol, which supports all modern browsers and mobile devices via WebGL.

           
Hold mouse button: left to rotate,middle to shift,right to zoom

Related entries of code: 3gsm
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
2oxnRCSB PDB    PDBbind340aa, >2OXN_1|Chain... *
3gs6RCSB PDB    PDBbind340aa, >3GS6_1|Chain... at 99%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!

Entry Information
PDB ID3gsm
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameVibrio Cholerea family 3 glycoside hydrolase (NagZ)
Ligand NameVPU
EC.Number E.C.3.2.1.52
Resolution 2.4(Å)
Affinity (Kd/Ki/IC50)Ki=0.33uM
Release Year2009
Protein/NA SequenceCheck fasta file
Primary Reference (2009) Protein Sci. Vol. 18: pp. 1541-1551
Ligand Properties
Formula C11H20N2O5
Molecular Weight 260.287
Exact Mass 260.137
No. of atoms 38
No. of bonds 38
Polar Surface Area 122.87
LOGP Value -0.57      (Computed with XLOGP3)
-0.76      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 9
No. of Nitrogen and Oxygen Atoms: 7
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): Q9KU37  
Entrez Gene IDNCBI Entrez Gene ID: 57739406  
ASDInformation of known allosteric effects of PDB entries

 
This site has been visited times since Nov 2007.


Copyright ©2007-2024    涓婃捣鐩堣禌鎬濅俊鎭鎶鏈夐檺鍏徃    缃戠珯澶囨鍙凤細娌狪CP澶2021015625鍙-3    娌叕缃戝畨澶囷細姝e湪鐢宠涓


Technical Support锛堟妧鏈敮鎸侊級: yingsaisi@foxmail.com