Chlorine in PDB 1zoh: Crystal Structure of Protein Kinase CK2 in Complex with Tbb- Derivatives Inhibitors

All present enzymatic activity of Crystal Structure of Protein Kinase CK2 in Complex with Tbb- Derivatives Inhibitors:
2.7.1.37;

The structure of Crystal Structure of Protein Kinase CK2 in Complex with Tbb- Derivatives Inhibitors, PDB code: 1zoh was solved by R.Battistutta, M.Mazzorana, S.Sarno, Z.Kazimierczuk, G.Zanotti, L.A.Pinna, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	15.39 / 1.81
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	143.560, 61.090, 44.690, 90.00, 102.70, 90.00
R / Rfree (%)	16.5 / 22.1

The structure of Crystal Structure of Protein Kinase CK2 in Complex with Tbb- Derivatives Inhibitors also contains other interesting chemical elements:

Bromine	(Br)	4 atoms
Sodium	(Na)	1 atom

The binding sites of Chlorine atom in the Crystal Structure of Protein Kinase CK2 in Complex with Tbb- Derivatives Inhibitors (pdb code 1zoh). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of Protein Kinase CK2 in Complex with Tbb- Derivatives Inhibitors, PDB code: 1zoh:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of Protein Kinase CK2 in Complex with Tbb- Derivatives Inhibitors


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Protein Kinase CK2 in Complex with Tbb- Derivatives Inhibitors within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl701 b:21.3 occ:1.00 O A:HOH1024 3.2 12.8 1.0 NH2 A:ARG134 3.4 11.6 1.0 NH1 A:ARG134 3.4 14.3 1.0 O A:HOH1120 3.6 13.3 1.0 CZ A:ARG134 3.8 22.2 1.0 CG A:GLU296 3.9 13.9 1.0 O A:HOH1086 4.0 18.7 1.0 CB A:GLU296 4.2 12.4 1.0 CB A:SER294 4.7 13.5 1.0 OG A:SER294 4.7 14.2 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Protein Kinase CK2 in Complex with Tbb- Derivatives Inhibitors


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Protein Kinase CK2 in Complex with Tbb- Derivatives Inhibitors within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl702 b:29.9 occ:1.00 N A:TYR50 3.1 14.5 1.0 O A:HOH1256 3.2 35.0 1.0 O A:HOH1310 3.2 45.0 1.0 CA A:GLY48 3.3 21.3 1.0 O A:HOH1348 3.3 30.0 1.0 N A:SER51 3.3 18.6 1.0 OG A:SER51 3.4 20.7 1.0 C A:GLY48 3.4 16.8 1.0 N A:LYS49 3.5 17.8 1.0 CB A:TYR50 3.6 21.7 1.0 CA A:TYR50 3.6 21.1 1.0 O A:HOH1197 3.7 34.2 1.0 C A:TYR50 3.8 24.4 1.0 O A:GLY48 4.1 17.9 1.0 N A:GLY48 4.1 20.4 1.0 C A:LYS49 4.1 21.3 1.0 O A:SER51 4.1 16.2 1.0 CD2 A:TYR50 4.2 23.1 1.0 CB A:SER51 4.2 19.9 1.0 CA A:SER51 4.3 15.9 1.0 CG A:TYR50 4.3 22.2 1.0 CA A:LYS49 4.4 24.9 1.0 C A:SER51 4.6 18.8 1.0 O A:HOH1115 4.6 30.1 1.0 O A:HOH1167 4.7 24.1 1.0 O A:HOH1349 4.7 16.1 1.0 O A:TYR50 4.8 21.1 1.0 O A:HOH1176 4.9 23.5 1.0 C A:ARG47 5.0 22.9 1.0

R.Battistutta, M.Mazzorana, S.Sarno, Z.Kazimierczuk, G.Zanotti, L.A.Pinna. Inspecting the Structure-Activity Relationship of Protein Kinase CK2 Inhibitors Derived From Tetrabromo-Benzimidazole. Chem.Biol. V. 12 1211 2005.
ISSN: ISSN 1074-5521
PubMed: 16298300
DOI: 10.1016/J.CHEMBIOL.2005.08.015