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Bromine in PDB 6tlw: Human CK2 Kinase Alpha Subunit in Complex with the Atp-Competitive Inhibitor 4-Bromobenzotriazole

Enzymatic activity of Human CK2 Kinase Alpha Subunit in Complex with the Atp-Competitive Inhibitor 4-Bromobenzotriazole

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

Protein crystallography data

The structure of Human CK2 Kinase Alpha Subunit in Complex with the Atp-Competitive Inhibitor 4-Bromobenzotriazole, PDB code: 6tlw 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) 44.26 / 1.73
Space group P 42 21 2
Cell size a, b, c (Å), α, β, γ (°) 128.505, 128.505, 61.065, 90.00, 90.00, 90.00
R / Rfree (%) 16 / 18.7

Other elements in 6tlw:

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

Chlorine (Cl) 2 atoms

Bromine Binding Sites:

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

Bromine binding site 1 out of 1 in 6tlw

Go back to Bromine Binding Sites List in 6tlw
Bromine binding site 1 out of 1 in the Human CK2 Kinase Alpha Subunit in Complex with the Atp-Competitive Inhibitor 4-Bromobenzotriazole


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Human CK2 Kinase Alpha Subunit in Complex with the Atp-Competitive Inhibitor 4-Bromobenzotriazole within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br401

b:72.6
occ:1.00
 BR1 A:NKZ401 0.0 72.6 1.0
C4 A:NKZ401 1.9 51.6 1.0
C6 A:NKZ401 2.8 50.2 1.0
C1 A:NKZ401 2.8 48.9 1.0
O A:HOH867 3.2 76.9 1.0
N5 A:NKZ401 3.3 49.2 1.0
NE A:ARG47 3.4 43.8 0.5
CD A:ARG47 3.5 45.7 0.5
O A:HOH928 3.6 56.0 0.5
CG1 A:VAL53 3.6 50.0 1.0
O A:HOH526 3.7 57.1 1.0
CD1 A:ILE174 3.8 39.2 1.0
CG A:ARG47 4.0 47.5 0.5
CE A:MET163 4.0 60.2 1.0
CZ A:ARG47 4.0 40.8 0.5
C2 A:NKZ401 4.1 44.2 1.0
C7 A:NKZ401 4.1 49.2 1.0
CG2 A:VAL53 4.2 49.8 1.0
CB A:VAL53 4.3 49.6 1.0
O A:HOH773 4.3 79.3 0.5
NH2 A:ARG47 4.5 38.4 0.5
O A:HOH831 4.6 51.3 0.5
C3 A:NKZ401 4.6 47.5 1.0
N9 A:NKZ401 4.6 44.6 1.0
NH1 A:ARG47 4.7 38.9 0.5
CG1 A:VAL66 4.9 41.3 1.0

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: Thu Jul 11 02:45:45 2024

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