Chlorine in PDB 2jkk: Focal Adhesion Kinase Catalytic Domain in Complex with Bis-Anilino Pyrimidine Inhibitor

All present enzymatic activity of Focal Adhesion Kinase Catalytic Domain in Complex with Bis-Anilino Pyrimidine Inhibitor:
2.7.10.2;

The structure of Focal Adhesion Kinase Catalytic Domain in Complex with Bis-Anilino Pyrimidine Inhibitor, PDB code: 2jkk was solved by D.Lietha, M.J.Eck, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	31.51 / 2.00
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	44.135, 45.153, 67.457, 90.00, 94.70, 90.00
R / Rfree (%)	17.9 / 23.6

The binding sites of Chlorine atom in the Focal Adhesion Kinase Catalytic Domain in Complex with Bis-Anilino Pyrimidine Inhibitor (pdb code 2jkk). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Focal Adhesion Kinase Catalytic Domain in Complex with Bis-Anilino Pyrimidine Inhibitor, PDB code: 2jkk:

Chlorine binding site 1 out of 1 in the Focal Adhesion Kinase Catalytic Domain in Complex with Bis-Anilino Pyrimidine Inhibitor


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Focal Adhesion Kinase Catalytic Domain in Complex with Bis-Anilino Pyrimidine Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1686 b:20.3 occ:1.00 CL5 A:BI91686 0.0 20.3 1.0 C5 A:BI91686 1.7 17.8 1.0 C6 A:BI91686 2.7 16.7 1.0 C4 A:BI91686 2.7 18.6 1.0 NAE A:BI91686 3.0 16.7 1.0 OAI A:BI91686 3.9 15.8 1.0 N1 A:BI91686 4.0 16.9 1.0 N3 A:BI91686 4.0 18.5 1.0 CB A:MET499 4.0 24.5 1.0 CG2 A:VAL484 4.1 22.8 1.0 CB A:ASP564 4.1 20.4 1.0 CD1 A:LEU553 4.1 20.5 1.0 N A:ASP564 4.2 21.0 1.0 O A:GLU500 4.2 25.0 1.0 CB A:ALA452 4.2 21.6 1.0 CG A:MET499 4.3 26.8 1.0 CAJ A:BI91686 4.3 21.6 1.0 CG1 A:VAL484 4.4 20.9 1.0 CB A:VAL484 4.4 20.4 1.0 C2 A:BI91686 4.5 17.6 1.0 CA A:ASP564 4.7 21.1 1.0 CAO A:BI91686 4.8 17.6 1.0 CE A:MET499 4.9 27.6 1.0 CD1 A:LEU567 5.0 17.5 1.0

D.Lietha, M.J.Eck. Crystal Structures of the Fak Kinase in Complex with TAE226 and Related Bis-Anilino Pyrimidine Inhibitors Reveal A Helical Dfg Conformation. Plos One V. 3 E3800 2008.
ISSN: ESSN 1932-6203
PubMed: 19030106
DOI: 10.1371/JOURNAL.PONE.0003800