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: 3bwj
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1re8RCSB PDB    PDBbind350aa, >1RE8_1|Chain... at 98%
1rejRCSB PDB    PDBbind350aa, >1REJ_1|Chain... at 98%
1rekRCSB PDB    PDBbind350aa, >1REK_1|Chain... at 98%
1szmRCSB PDB    PDBbind350aa, >1SZM_1|Chains... at 98%
3ag9RCSB PDB    PDBbind351aa, >3AG9_1|Chains... at 99%
3aglRCSB PDB    PDBbind351aa, >3AGL_1|Chains... at 100%
3agmRCSB PDB    PDBbind351aa, >3AGM_1|Chain... at 100%
5izfRCSB PDB    PDBbind351aa, >5IZF_1|Chain... at 100%
5izjRCSB PDB    PDBbind351aa, >5IZJ_1|Chains... at 100%
5j5xRCSB PDB    PDBbind351aa, >5J5X_1|Chain... at 100%
6c0uRCSB PDB    PDBbind354aa, >6C0U_1|Chain... 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 ID3bwj
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NamecAMP-dependent protein kinase, alpha-catalytic subunit
Ligand NameARX
EC.Number E.C.2.7.11.11
Resolution 2.3(Å)
Affinity (Kd/Ki/IC50)Kd=0.319uM
Release Year2009
Protein/NA SequenceCheck fasta file
Primary Reference (2009) J.Med.Chem. Vol. 52: pp. 308-321
Ligand Properties
Formula C28H49N15O7
Molecular Weight 707.785
Exact Mass 707.394
No. of atoms 99
No. of bonds 101
Polar Surface Area 381.72
LOGP Value -0.68      (Computed with XLOGP3)
-3.32      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 7
No. of Hydrogen Bond Acceptors: 9
No. of Rotatable Bonds: 25
No. of Nitrogen and Oxygen Atoms: 22
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): P00517  
Entrez Gene IDNCBI Entrez Gene ID: 282322  
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