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Chlorine in PDB 1zoe: 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: 1zoe 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) 31.47 / 1.77
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 143.454, 60.781, 45.938, 90.00, 103.44, 90.00
R / Rfree (%) 21.1 / 27.7

Other elements in 1zoe:

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

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 1zoe). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Crystal Structure of Protein Kinase CK2 in Complex with Tbb- Derivatives Inhibitors, PDB code: 1zoe:

Chlorine binding site 1 out of 1 in 1zoe

Go back to Chlorine Binding Sites List in 1zoe
Chlorine binding site 1 out of 1 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:Cl601

b:29.1
occ:1.00
O A:HOH1344 1.7 37.4 1.0
N A:ASP175 3.1 18.9 1.0
CA A:ASP175 3.2 25.1 1.0
NZ A:LYS68 3.2 24.2 1.0
N14 A:K25501 3.4 12.7 1.0
O A:HOH1132 3.6 23.5 1.0
CD A:LYS68 3.6 19.6 1.0
BR11 A:K25501 3.7 27.8 1.0
CB A:ASP175 3.8 30.9 1.0
C17 A:K25501 3.8 24.1 1.0
CE A:LYS68 3.9 19.8 1.0
CG A:ASP175 4.2 37.3 1.0
C7 A:K25501 4.2 14.8 1.0
CB A:ILE174 4.2 19.7 1.0
CD1 A:ILE174 4.3 26.6 1.0
C13 A:K25501 4.3 18.9 1.0
C A:ILE174 4.3 26.0 1.0
CE2 A:PHE113 4.4 24.9 1.0
OD2 A:ASP175 4.5 30.4 1.0
C A:ASP175 4.5 19.9 1.0
C5 A:K25501 4.5 11.0 1.0
N15 A:K25501 4.5 23.6 1.0
CZ A:PHE113 4.6 16.2 1.0
N A:TRP176 4.7 18.6 1.0
CG1 A:ILE174 4.7 26.4 1.0
OD1 A:ASP175 4.7 55.0 1.0
CA A:ILE174 4.7 21.2 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 Jul 20 04:47:36 2024

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