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

Enzymatic activity of 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;

Protein crystallography data

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

Other elements in 1zoh:

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

Chlorine Binding Sites:

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 1zoh

Go back to Chlorine Binding Sites List in 1zoh
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 1zoh

Go back to Chlorine Binding Sites List in 1zoh
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

Reference:

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
Page generated: Sat Dec 12 08:57:17 2020

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