Chlorine in PDB 2izr: 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: 2izr 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)	49.15 / 1.30
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	56.724, 56.724, 223.344, 90.00, 90.00, 120.00
R / Rfree (%)	13 / 15.8

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

Magnesium

(Mg)

2 atoms

The binding sites of Chlorine atom in the Structure of Casein Kinase Gamma 3 in Complex with Inhibitor (pdb code 2izr). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Structure of Casein Kinase Gamma 3 in Complex with Inhibitor, PDB code: 2izr:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 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:Cl1338 b:23.7 occ:1.00 O A:HOH2110 3.0 27.4 1.0 NZ A:LYS137 3.1 15.1 1.0 N A:MET318 3.2 14.0 1.0 O A:HOH2253 3.2 53.4 1.0 CA A:TYR317 3.6 15.0 1.0 CD A:LYS137 3.7 12.9 1.0 CE A:MET318 3.8 25.4 0.6 CE A:LYS137 3.8 12.7 1.0 O A:HOH2118 3.9 43.2 1.0 C A:TYR317 3.9 13.7 1.0 O A:HOH2459 4.1 32.9 1.0 CB A:MET318 4.1 17.4 0.6 CB A:MET318 4.1 20.8 0.4 CA A:MET318 4.2 14.1 1.0 O A:MET318 4.2 14.3 1.0 CB A:TYR317 4.2 13.6 1.0 CG A:MET318 4.3 20.2 0.6 O A:GLY316 4.3 20.2 1.0 CD1 A:TYR317 4.4 15.0 1.0 CG A:MET318 4.6 31.1 0.4 OD2 A:ASP320 4.7 17.8 1.0 C A:MET318 4.7 14.9 1.0 O A:HOH2208 4.7 24.8 1.0 N A:TYR317 4.8 15.5 1.0 CG A:TYR317 4.8 15.4 1.0 SD A:MET318 5.0 25.5 0.6 C A:GLY316 5.0 19.3 1.0 CG A:LYS137 5.0 12.6 1.0

Chlorine binding site 2 out of 4 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:Cl1339 b:25.6 occ:1.00 O A:HOH2123 2.7 29.8 1.0 NH1 A:ARG149 3.3 12.8 1.0 O A:HOH2226 3.3 36.1 1.0 NH2 A:ARG149 3.7 13.6 1.0 CG A:GLN145 3.9 11.8 1.0 CA A:GLN145 3.9 10.1 1.0 OD2 A:ASP97 3.9 18.7 0.5 CZ A:ARG149 4.0 11.7 1.0 CB A:SER148 4.1 12.8 1.0 CB A:GLN145 4.1 10.9 1.0 O A:GLN145 4.1 10.7 1.0 O A:HOH2462 4.3 16.9 1.0 OG A:SER148 4.5 13.0 1.0 C A:GLN145 4.5 10.4 1.0 OE1 A:GLN145 4.9 12.1 1.0 CD A:GLN145 4.9 11.1 1.0 CG A:ASP97 4.9 15.6 0.5 N A:GLN145 5.0 10.1 1.0

Chlorine binding site 3 out of 4 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:Cl1340 b:35.3 occ:1.00 O A:HOH2352 2.8 29.8 1.0 O A:GLN250 3.0 35.7 1.0 NE A:ARG214 3.1 16.4 1.0 O A:HOH2323 3.4 19.8 1.0 NH2 A:ARG260 3.4 32.7 1.0 O A:HOH2357 3.6 42.2 1.0 NH2 A:ARG214 3.7 20.9 1.0 O A:HOH2168 3.8 41.5 1.0 CA A:GLN250 3.8 24.3 1.0 CB A:ARG214 3.8 14.9 1.0 C A:GLN250 3.8 31.8 1.0 CG A:GLN250 3.9 33.0 1.0 CZ A:ARG214 3.9 18.3 1.0 CG A:ARG214 3.9 15.7 1.0 CD A:ARG214 4.1 15.7 1.0 CB A:GLN250 4.4 27.8 1.0 CA A:ARG214 4.5 14.2 1.0 N A:ARG214 4.7 15.1 1.0 CZ A:ARG260 4.7 31.1 1.0 O A:TRP249 4.8 20.5 1.0

Chlorine binding site 4 out of 4 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 4 of Structure of Casein Kinase Gamma 3 in Complex with Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1341 b:37.2 occ:1.00 N A:TYR68 3.1 14.2 1.0 NH1 A:ARG172 3.2 34.2 1.0 O A:HOH2042 3.4 31.2 0.5 NH2 A:ARG172 3.5 40.0 1.0 CA A:GLU67 3.7 17.8 1.0 CZ A:ARG172 3.8 43.6 1.0 CD2 A:TYR68 3.8 26.6 1.0 C A:GLU67 3.9 13.7 1.0 O A:HOH2047 3.9 55.4 1.0 CB A:TYR68 4.0 16.0 1.0 CA A:TYR68 4.1 13.5 1.0 CB A:GLU67 4.1 19.1 0.5 CB A:GLU67 4.2 23.2 0.5 O A:HOH2041 4.2 30.9 0.5 CG A:TYR68 4.4 17.5 1.0 O A:TYR68 4.4 15.6 1.0 O A:ASN66 4.5 21.1 1.0 CG A:GLU67 4.5 23.7 0.5 C A:TYR68 4.8 14.7 1.0 CG A:GLU67 4.8 31.0 0.5 CE2 A:TYR68 4.8 29.2 1.0 N A:GLU67 4.8 16.8 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.