Chlorine in PDB 3owk: Human CK2 Catalytic Domain in Complex with A Benzopyridoindole Derivative Inhibitor

The structure of Human CK2 Catalytic Domain in Complex with A Benzopyridoindole Derivative Inhibitor, PDB code: 3owk was solved by J.-B.Reiser, R.Prudent, C.Cochet, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	34.12 / 1.80
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	58.489, 46.362, 63.942, 90.00, 111.47, 90.00
R / Rfree (%)	21.9 / 26.2

The binding sites of Chlorine atom in the Human CK2 Catalytic Domain in Complex with A Benzopyridoindole Derivative Inhibitor (pdb code 3owk). 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 Human CK2 Catalytic Domain in Complex with A Benzopyridoindole Derivative Inhibitor, PDB code: 3owk:

Chlorine binding site 1 out of 1 in the Human CK2 Catalytic Domain in Complex with A Benzopyridoindole Derivative Inhibitor


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Human CK2 Catalytic Domain in Complex with A Benzopyridoindole Derivative Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl332 b:42.9 occ:1.00 CL18 A:18E332 0.0 42.9 1.0 C18 A:18E332 1.8 36.0 1.0 N17 A:18E332 2.7 34.9 1.0 C13 A:18E332 2.8 33.8 1.0 O A:HOH369 3.0 24.2 1.0 CZ A:PHE113 3.3 21.9 1.0 C9 A:18E332 3.3 33.6 1.0 CE2 A:PHE113 3.4 21.3 1.0 C8 A:18E332 3.4 33.6 1.0 N A:ASP175 3.5 17.4 1.0 NZ A:LYS68 3.7 26.2 1.0 CA A:ASP175 3.8 18.1 1.0 CE1 A:PHE113 3.8 21.4 1.0 CE A:LYS68 3.9 26.8 1.0 CD2 A:PHE113 4.0 21.1 1.0 C16 A:18E332 4.0 34.5 1.0 C12 A:18E332 4.2 33.5 1.0 CB A:ILE174 4.3 16.5 1.0 CD1 A:PHE113 4.4 21.3 1.0 CG A:PHE113 4.4 22.8 1.0 CD A:LYS68 4.5 26.6 1.0 CB A:ASP175 4.5 18.3 1.0 C A:ILE174 4.6 16.9 1.0 C14 A:18E332 4.7 34.5 1.0 C10 A:18E332 4.7 32.6 1.0 OE2 A:GLU81 4.7 26.4 1.0 CA A:ILE174 4.8 16.4 1.0 N A:TRP176 4.8 18.1 1.0 C7 A:18E332 4.8 33.0 1.0 C A:ASP175 4.9 18.3 1.0 CG2 A:ILE95 4.9 17.9 1.0

R.Prudent, V.Moucadel, C.H.Nguyen, C.Barette, F.Schmidt, J.C.Florent, L.Lafanechere, C.F.Sautel, E.Duchemin-Pelletier, E.Spreux, O.Filhol, J.B.Reiser, C.Cochet. Antitumor Activity of Pyridocarbazole and Benzopyridoindole Derivatives That Inhibit Protein Kinase CK2. Cancer Res. V. 70 9865 2010.
ISSN: ISSN 0008-5472
PubMed: 21118972
DOI: 10.1158/0008-5472.CAN-10-0917