Chlorine in PDB 2izt: 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: 2izt 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)	29.35 / 2.00
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	56.433, 56.433, 220.266, 90.00, 90.00, 120.00
R / Rfree (%)	22.2 / 27.7

The binding sites of Chlorine atom in the Structure of Casein Kinase Gamma 3 in Complex with Inhibitor (pdb code 2izt). 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: 2izt:
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:Cl1335 b:13.4 occ:1.00 CL1 A:23D1335 0.0 13.4 1.0 CAQ A:23D1335 1.8 14.0 1.0 CAS A:23D1335 2.7 12.1 1.0 CAP A:23D1335 2.8 11.0 1.0 O A:PRO331 3.2 22.8 1.0 C A:PRO331 3.4 25.7 1.0 C A:THR332 3.5 27.7 1.0 N A:PRO333 3.5 28.5 1.0 CD A:PRO333 3.5 28.1 1.0 N A:THR332 3.6 27.2 1.0 CA A:THR332 3.6 26.5 1.0 N A:PRO121 3.7 8.9 1.0 C A:GLY120 3.9 7.9 1.0 CB A:PRO331 3.9 26.3 1.0 CD A:PRO121 3.9 8.9 1.0 O A:THR332 4.0 27.6 1.0 CAM A:23D1335 4.0 10.5 1.0 O A:HOH2073 4.0 2.0 0.5 CAO A:23D1335 4.0 8.0 1.0 CG A:PRO333 4.1 27.2 1.0 CG A:PRO331 4.1 29.2 1.0 CA A:PRO121 4.2 8.4 1.0 CG A:PRO121 4.2 8.4 1.0 CA A:GLY120 4.2 6.4 1.0 CA A:PRO331 4.3 26.7 1.0 O A:GLY120 4.3 5.3 1.0 CA A:PRO333 4.4 30.9 1.0 CB A:PRO121 4.4 6.8 1.0 O A:HOH2037 4.5 22.1 1.0 CAN A:23D1335 4.5 9.6 1.0 O A:HOH2069 4.6 13.6 1.0 CB A:PRO333 4.8 30.5 1.0 O A:LEU119 4.9 7.1 1.0 N A:PRO331 5.0 26.7 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:Cl1336 b:26.6 occ:1.00 O A:HOH2152 3.2 16.0 1.0 NH2 A:ARG260 3.3 29.1 1.0 O A:HOH2173 3.4 17.5 1.0 CG2 A:THR212 3.4 20.6 0.5 N A:ARG214 3.4 10.1 1.0 CB A:ARG214 3.6 7.4 1.0 NH1 A:ARG260 3.7 20.3 1.0 N A:ALA213 3.7 16.2 1.0 CG2 A:THR212 3.9 16.1 0.5 CZ A:ARG260 4.0 25.3 1.0 CA A:ARG214 4.0 11.5 1.0 CB A:ALA213 4.0 9.7 1.0 CA A:ALA213 4.2 12.4 1.0 C A:ALA213 4.2 10.7 1.0 O A:HOH2086 4.4 21.8 1.0 NE A:ARG214 4.5 9.7 1.0 C A:THR212 4.5 20.2 0.5 C A:THR212 4.6 18.7 0.5 CB A:THR212 4.7 23.2 0.5 CA A:THR212 4.7 20.4 0.5 CG A:ARG214 4.8 9.2 1.0 CD1 A:ILE264 4.8 2.0 1.0 CB A:THR212 5.0 20.5 0.5

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:Cl1337 b:25.6 occ:1.00 NZ A:LYS61 3.5 36.2 1.0 CD2 A:LEU63 4.3 6.7 1.0 CD A:LYS61 4.3 23.0 1.0 CE A:LYS61 4.5 27.5 1.0 NH2 A:ARG44 4.7 26.5 1.0 OD1 A:ASN66 4.9 4.6 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.