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Sodium in PDB 6tlo: Human CK2 Kinase Alpha Subunit in Complex with the Atp-Competitive Inhibitor 4,5,6-Tribromobenzotriazole

Enzymatic activity of Human CK2 Kinase Alpha Subunit in Complex with the Atp-Competitive Inhibitor 4,5,6-Tribromobenzotriazole

All present enzymatic activity of Human CK2 Kinase Alpha Subunit in Complex with the Atp-Competitive Inhibitor 4,5,6-Tribromobenzotriazole:
2.7.11.1;

Protein crystallography data

The structure of Human CK2 Kinase Alpha Subunit in Complex with the Atp-Competitive Inhibitor 4,5,6-Tribromobenzotriazole, PDB code: 6tlo was solved by H.Czapinska, A.Piasecka, M.Winiewska-Szajewska, M.Bochtler, J.Poznanski, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 44.38 / 1.69
Space group P 42 21 2
Cell size a, b, c (Å), α, β, γ (°) 129.008, 129.008, 61.144, 90.00, 90.00, 90.00
R / Rfree (%) 14.9 / 17.1

Other elements in 6tlo:

The structure of Human CK2 Kinase Alpha Subunit in Complex with the Atp-Competitive Inhibitor 4,5,6-Tribromobenzotriazole also contains other interesting chemical elements:

Bromine (Br) 9 atoms
Chlorine (Cl) 2 atoms

Sodium Binding Sites:

The binding sites of Sodium atom in the Human CK2 Kinase Alpha Subunit in Complex with the Atp-Competitive Inhibitor 4,5,6-Tribromobenzotriazole (pdb code 6tlo). This binding sites where shown within 5.0 Angstroms radius around Sodium atom.
In total only one binding site of Sodium was determined in the Human CK2 Kinase Alpha Subunit in Complex with the Atp-Competitive Inhibitor 4,5,6-Tribromobenzotriazole, PDB code: 6tlo:

Sodium binding site 1 out of 1 in 6tlo

Go back to Sodium Binding Sites List in 6tlo
Sodium binding site 1 out of 1 in the Human CK2 Kinase Alpha Subunit in Complex with the Atp-Competitive Inhibitor 4,5,6-Tribromobenzotriazole


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of Human CK2 Kinase Alpha Subunit in Complex with the Atp-Competitive Inhibitor 4,5,6-Tribromobenzotriazole within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Na403

b:63.1
occ:1.00
 O A:HOH783 2.2 53.7 1.0
O A:HOH802 2.2 52.2 1.0
O A:VAL293 2.3 37.2 1.0
O A:GLN290 2.4 38.2 0.5
O A:HOH862 2.4 47.2 0.5
O A:GLN290 2.5 38.6 0.5
O A:HOH905 2.8 51.5 1.0
C A:VAL293 3.5 34.5 1.0
C A:GLN290 3.6 38.0 0.5
C A:GLN290 3.6 38.5 0.5
OE1 A:GLN290 4.2 48.8 0.5
O A:HOH829 4.3 52.9 1.0
N A:VAL293 4.4 34.0 1.0
CA A:VAL293 4.4 33.2 1.0
CA A:GLN290 4.4 38.2 0.5
CA A:GLN290 4.4 39.2 0.5
N A:HIS291 4.5 38.2 1.0
N A:SER294 4.5 31.9 1.0
CA A:HIS291 4.6 38.6 1.0
CA A:SER294 4.7 32.0 1.0
CB A:GLN290 4.7 40.5 0.5
CB A:GLN290 4.7 42.4 0.5
CB A:VAL293 4.8 34.5 1.0
C A:HIS291 4.8 36.8 1.0
O A:HOH955 4.8 54.1 0.5
CG A:GLN290 4.9 41.8 0.5

Reference:

H.Czapinska, A.Piasecka, M.Winiewska-Szajewska, M.Bochtler, J.Poznanski. Binding of Bromobenzotriazoles By the Catalytic Subunit of Human Protein Kinase CK2: Structural and Thermodynamics Studies. To Be Published.
Page generated: Tue Oct 8 13:59:22 2024

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