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: 2jdo
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
2x39RCSB PDB    PDBbind342aa, >2x39_A... at 100%
2xh5RCSB PDB    PDBbind342aa, >2xh5_A... at 100%
3d0eRCSB PDB    PDBbind335aa, >3d0e_B... at 96%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
2c1aRCSB PDB    PDBbindI5S
2jdtRCSB PDB    PDBbindI5S

Entry Information
PDB ID2jdo
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameRAC-BETA SERINE/THREONINE-PROTEIN KINASE
Ligand NameI5S
EC.Number E.C.2.7.11.1
Resolution 1.8(Å)
Affinity (Kd/Ki/IC50)IC50=0.23uM
Release Year2007
Protein/NA SequenceCheck fasta file
Primary ReferenceJ. Mol. Biol. 2007, 367, 882-894.
Ligand Properties
Formula C20H23ClN3O3S
Molecular Weight 420.933
Exact Mass 420.115
No. of atoms 51
No. of bonds 53
Polar Surface Area 93.28
LOGP Value 2.61      (Computed with XLOGP3)
3.42      (Computed with Open Babel)
Drug likenessNo. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 10
No. of Nitrogen and Oxygen Atoms: 6
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): P31751  P49841  
Entrez Gene IDNCBI Entrez Gene ID: 208  2932  
ASDInformation of known allosteric effects of PDB entries

 
This site has been visited times since Nov 2007.


Address: LingLing Road 345, Shanghai, 200032, China      ICP NO: Shanghai-05005485-2
Group Leader: wangrx@mail.sioc.ac.cn      Tel: +86-21-54925128      Webmaster: liuhai@mail.sioc.ac.cn
Copyright ©2007-2013    Shanghai Institute of Organic Chemistry, Chinese Academy of Sciences