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Chlorine in PDB 4d58: Focal Adhesion Kinase Catalytic Domain in Complex with Bis- Anilino Pyrimidine Inhibitor

Enzymatic activity of 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;

Protein crystallography data

The structure of Focal Adhesion Kinase Catalytic Domain in Complex with Bis- Anilino Pyrimidine Inhibitor, PDB code: 4d58 was solved by J.Le Coq, A.Lin, D.Lietha, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 61.68 / 1.95
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 44.983, 123.368, 50.843, 90.00, 94.65, 90.00
R / Rfree (%) 19.556 / 22.848

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Focal Adhesion Kinase Catalytic Domain in Complex with Bis- Anilino Pyrimidine Inhibitor (pdb code 4d58). 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: 4d58:

Chlorine binding site 1 out of 1 in 4d58

Go back to Chlorine Binding Sites List in 4d58
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
B:Cl1690

b:59.6
occ:1.00
 CL5 B:BI91690 0.0 59.6 1.0
C5 B:BI91690 1.8 59.0 1.0
C6 B:BI91690 2.7 57.9 1.0
C4 B:BI91690 2.8 59.9 1.0
NAE B:BI91690 3.0 60.9 1.0
CE B:MET499 3.1 38.7 1.0
CD1 B:LEU553 3.6 30.6 1.0
SD B:MET499 3.8 35.3 1.0
CB B:ALA452 3.9 31.8 1.0
NAN B:BI91690 3.9 65.0 1.0
N1 B:BI91690 4.0 56.0 1.0
N3 B:BI91690 4.0 57.5 1.0
CAM B:BI91690 4.1 66.3 1.0
CAJ B:BI91690 4.3 60.3 1.0
CE B:LYS454 4.3 39.4 1.0
O B:GLU500 4.5 30.4 1.0
C2 B:BI91690 4.5 60.4 1.0
CAO B:BI91690 4.5 64.1 1.0
CB B:MET499 4.6 33.0 1.0
O B:GLY563 4.6 38.9 1.0
CG1 B:VAL484 4.6 28.9 1.0
NZ B:LYS454 4.6 40.7 1.0
CG B:MET499 4.9 34.2 1.0
CAP B:BI91690 4.9 60.8 1.0
CG B:LEU553 5.0 28.9 1.0

Reference:

J.Zhou, A.Bronowska, J.Le Coq, D.Lietha, F.Grater. Allosteric Regulation of Focal Adhesion Kinase By PIP2 and Atp. Biophys.J. V. 108 698 2015.
ISSN: ISSN 0006-3495
PubMed: 25650936
DOI: 10.1016/J.BPJ.2014.11.3454
Page generated: Sun Jul 21 11:48:00 2024

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