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: 3zrk
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1gngRCSB PDB    PDBbind39aa, >1GNG_2|Chains... *
3zrlRCSB PDB    PDBbind32aa, >3ZRL_2|Chains... at 93%
3zrmRCSB PDB    PDBbind32aa, >3ZRM_2|Chains... at 93%
4afjRCSB PDB    PDBbind30aa, >4AFJ_2|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 ID3zrk
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameGLYCOGEN SYNTHASE KINASE-3 BETA
Ligand NameZRK
EC.Number E.C.2.7.11.1;2.7.11.26
Resolution 2.37(Å)
Affinity (Kd/Ki/IC50)IC50=0.13uM
Release Year2011
Protein/NA SequenceCheck fasta file
Primary Reference (2011) Bioorg.Med.Chem.Lett. Vol. 21: pp. 4823-4827
Ligand Properties
Formula C12H8N2O2
Molecular Weight 212.204
Exact Mass 212.059
No. of atoms 24
No. of bonds 26
Polar Surface Area 58.89
LOGP Value 1.03      (Computed with XLOGP3)
2.18      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 1
No. of Nitrogen and Oxygen Atoms: 4
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): Q92837  P49841  
Entrez Gene IDNCBI Entrez Gene ID: 10023  2932  
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