Chlorine in PDB 2izs: Structure of Casein Kinase Gamma 3 in Complex with Inhibitor

All present enzymatic activity of Structure of Casein Kinase Gamma 3 in Complex with Inhibitor:
2.7.11.1;

The structure of Structure of Casein Kinase Gamma 3 in Complex with Inhibitor, PDB code: 2izs was solved by G.Bunkoczi, E.Salah, P.Rellos, S.Das, O.Fedorov, P.Savitsky, J.E.Debreczeni, O.Gileadi, M.Sundstrom, A.Edwards, C.Arrowsmith, J.Weigelt, F.Von Delft, S.Knapp, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.26 / 1.95
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	56.029, 56.029, 220.089, 90.00, 90.00, 120.00
R / Rfree (%)	17.9 / 23.4

The structure of Structure of Casein Kinase Gamma 3 in Complex with Inhibitor also contains other interesting chemical elements:

Fluorine	(F)	1 atom
Magnesium	(Mg)	2 atoms

The binding sites of Chlorine atom in the Structure of Casein Kinase Gamma 3 in Complex with Inhibitor (pdb code 2izs). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Structure of Casein Kinase Gamma 3 in Complex with Inhibitor, PDB code: 2izs:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Structure of Casein Kinase Gamma 3 in Complex with Inhibitor


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of Casein Kinase Gamma 3 in Complex with Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1334 b:25.7 occ:1.00 CL A:BRQ1334 0.0 25.7 1.0 CAS A:BRQ1334 1.7 21.0 1.0 CAL A:BRQ1334 2.7 21.6 1.0 CAF A:BRQ1334 2.7 14.9 1.0 O A:PRO331 3.3 28.8 1.0 C A:PRO331 3.4 33.8 1.0 C A:PRO333 3.5 44.1 1.0 C A:THR332 3.6 42.4 1.0 CA A:THR332 3.6 38.8 1.0 N A:THR332 3.6 35.7 1.0 N A:PRO121 3.7 12.7 1.0 CB A:PRO331 3.7 34.0 1.0 CA A:PRO121 3.8 13.4 1.0 O A:THR332 3.8 43.1 1.0 CD A:PRO121 3.9 5.5 1.0 N A:PRO333 3.9 44.4 1.0 CAT A:BRQ1334 4.0 14.8 1.0 CAE A:BRQ1334 4.0 15.7 1.0 CB A:PRO121 4.0 13.8 1.0 C A:GLY120 4.1 15.7 1.0 CA A:PRO331 4.2 33.0 1.0 CA A:PRO333 4.3 44.1 1.0 O A:PRO333 4.3 42.9 1.0 O A:GLY120 4.4 13.6 1.0 CG A:PRO121 4.5 15.2 1.0 CAI A:BRQ1334 4.5 21.8 1.0 O1 A:PGO1339 4.7 44.1 1.0 CA A:GLY120 4.7 13.0 1.0 O A:HOH2238 4.7 40.1 1.0 OD2 A:ASP125 4.7 24.7 1.0 CG A:PRO331 4.8 34.2 1.0 CD A:PRO333 4.9 45.5 1.0 CB A:PRO333 4.9 40.1 1.0 NAN A:BRQ1334 5.0 14.5 1.0

Chlorine binding site 2 out of 3 in the Structure of Casein Kinase Gamma 3 in Complex with Inhibitor


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structure of Casein Kinase Gamma 3 in Complex with Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1337 b:25.2 occ:1.00 NZ A:LYS137 3.2 8.4 1.0 N A:MET318 3.2 12.2 1.0 O A:HOH2026 3.2 25.6 1.0 CE A:MET318 3.4 30.3 1.0 CA A:TYR317 3.6 14.3 1.0 CD A:LYS137 3.6 14.2 1.0 CE A:LYS137 3.7 8.7 1.0 C A:TYR317 3.8 9.2 1.0 O A:HOH2229 3.9 28.3 1.0 O A:GLY316 4.2 18.8 1.0 O A:MET318 4.2 11.5 1.0 CA A:MET318 4.2 14.2 1.0 CB A:TYR317 4.3 15.1 1.0 CB A:MET318 4.3 13.3 1.0 CD1 A:TYR317 4.3 18.5 1.0 CG A:MET318 4.5 26.8 1.0 O A:HOH2086 4.5 19.9 1.0 OD2 A:ASP320 4.6 13.0 1.0 N A:TYR317 4.6 12.9 1.0 C A:MET318 4.7 11.4 1.0 SD A:MET318 4.7 33.4 1.0 CG A:TYR317 4.8 14.3 1.0 C A:GLY316 4.8 17.4 1.0 CG A:LYS137 4.9 11.2 1.0

Chlorine binding site 3 out of 3 in the Structure of Casein Kinase Gamma 3 in Complex with Inhibitor


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Structure of Casein Kinase Gamma 3 in Complex with Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1338 b:31.4 occ:1.00 O A:HOH2093 3.2 28.3 1.0 NH1 A:ARG149 3.4 16.4 1.0 NH2 A:ARG149 3.7 14.7 1.0 CA A:GLN145 3.8 15.7 1.0 CG A:GLN145 3.9 16.1 1.0 OD2 A:ASP97 3.9 25.1 1.0 CZ A:ARG149 4.0 12.9 1.0 CB A:SER148 4.0 13.8 1.0 CB A:GLN145 4.0 10.2 1.0 O A:GLN145 4.0 13.1 1.0 O A:HOH2092 4.1 13.5 1.0 C A:GLN145 4.4 11.2 1.0 OG A:SER148 4.5 15.1 1.0 CG A:ASP97 4.8 30.9 1.0 N A:GLN145 4.8 14.8 1.0 OE1 A:GLN145 4.9 17.0 1.0 CD A:GLN145 4.9 17.7 1.0

G.Bunkoczi, E.Salah, P.Rellos, S.Das, O.Fedorov, P.Savitsky, J.E.Debreczeni, O.Gileadi, M.Sundstrom, A.Edwards, C.Arrowsmith, J.Weigelt, F.Von Delft, S.Knapp. Inhibitor Binding By Casein Kinases To Be Published.