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Sodium in PDB 6spw: Structure of Protein Kinase CK2 Catalytic Subunit with the CK2BETA- Competitive Bisubstrate Inhibitor ARC3140

Enzymatic activity of Structure of Protein Kinase CK2 Catalytic Subunit with the CK2BETA- Competitive Bisubstrate Inhibitor ARC3140

All present enzymatic activity of Structure of Protein Kinase CK2 Catalytic Subunit with the CK2BETA- Competitive Bisubstrate Inhibitor ARC3140:
2.7.11.1;

Protein crystallography data

The structure of Structure of Protein Kinase CK2 Catalytic Subunit with the CK2BETA- Competitive Bisubstrate Inhibitor ARC3140, PDB code: 6spw was solved by K.Niefind, A.Schnitzler, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 42.59 / 1.60
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 47.503, 85.171, 90.432, 90.00, 90.00, 90.00
R / Rfree (%) 16.5 / 19.6

Other elements in 6spw:

The structure of Structure of Protein Kinase CK2 Catalytic Subunit with the CK2BETA- Competitive Bisubstrate Inhibitor ARC3140 also contains other interesting chemical elements:

Iodine (I) 12 atoms

Sodium Binding Sites:

The binding sites of Sodium atom in the Structure of Protein Kinase CK2 Catalytic Subunit with the CK2BETA- Competitive Bisubstrate Inhibitor ARC3140 (pdb code 6spw). 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 Structure of Protein Kinase CK2 Catalytic Subunit with the CK2BETA- Competitive Bisubstrate Inhibitor ARC3140, PDB code: 6spw:

Sodium binding site 1 out of 1 in 6spw

Go back to Sodium Binding Sites List in 6spw
Sodium binding site 1 out of 1 in the Structure of Protein Kinase CK2 Catalytic Subunit with the CK2BETA- Competitive Bisubstrate Inhibitor ARC3140


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of Structure of Protein Kinase CK2 Catalytic Subunit with the CK2BETA- Competitive Bisubstrate Inhibitor ARC3140 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Na401

b:36.4
occ:1.00
 O A:HOH674 2.2 42.0 1.0
O A:HOH662 2.4 53.1 1.0
O A:HOH654 2.5 36.2 1.0
O A:HOH709 2.6 30.1 1.0
O A:THR326 2.7 30.9 1.0
C A:THR326 3.9 30.4 1.0
O A:VAL327 4.4 31.8 1.0
OG1 A:THR326 4.5 32.1 1.0
O A:LYS329 4.5 57.6 1.0
OH A:TYR131 4.6 26.4 1.0
CE1 A:TYR131 4.6 20.7 1.0
CA A:THR326 4.7 29.2 1.0
C A:VAL327 4.7 30.3 1.0
CA A:VAL327 4.8 28.4 1.0
N A:VAL327 4.8 27.6 1.0
CZ A:TYR131 5.0 22.9 1.0

Reference:

K.Niefind, A.Schnitzler, A.Uri, M.Pietsch, J.Jose, C.Nienberg, M.Steinkrueger, K.Viht. Unexpected CK2 Beta-Antagonistic Functionality of Bisubstrate Inhibitors Targeting Protein Kinase CK2 Bioorg.Chem. 2020.
ISSN: ISSN 0045-2068
DOI: 10.1016/J.BIOORG.2020.103608
Page generated: Tue Oct 8 13:30:22 2024

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