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Sodium in PDB 7a1b: Crystal Structure of Human Protein Kinase CK2ALPHA' (CSNK2A2 Gene Product) in Complex with the Atp-Competitive Inhibitor 5,6-Dibromo- 1H-Triazolo[4,5-B]Pyridine

Enzymatic activity of Crystal Structure of Human Protein Kinase CK2ALPHA' (CSNK2A2 Gene Product) in Complex with the Atp-Competitive Inhibitor 5,6-Dibromo- 1H-Triazolo[4,5-B]Pyridine

All present enzymatic activity of Crystal Structure of Human Protein Kinase CK2ALPHA' (CSNK2A2 Gene Product) in Complex with the Atp-Competitive Inhibitor 5,6-Dibromo- 1H-Triazolo[4,5-B]Pyridine:
2.7.11.1;

Protein crystallography data

The structure of Crystal Structure of Human Protein Kinase CK2ALPHA' (CSNK2A2 Gene Product) in Complex with the Atp-Competitive Inhibitor 5,6-Dibromo- 1H-Triazolo[4,5-B]Pyridine, PDB code: 7a1b was solved by K.Niefind, D.Lindenblatt, C.Toelzer, M.Bretner, K.Chojnacki, M.Wielechowska, P.Winska, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 46.45 / 1.29
Space group P 1
Cell size a, b, c (Å), α, β, γ (°) 46.256, 47.593, 50.550, 113.23, 90.00, 91.13
R / Rfree (%) 15.7 / 19.3

Other elements in 7a1b:

The structure of Crystal Structure of Human Protein Kinase CK2ALPHA' (CSNK2A2 Gene Product) in Complex with the Atp-Competitive Inhibitor 5,6-Dibromo- 1H-Triazolo[4,5-B]Pyridine also contains other interesting chemical elements:

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

Sodium Binding Sites:

The binding sites of Sodium atom in the Crystal Structure of Human Protein Kinase CK2ALPHA' (CSNK2A2 Gene Product) in Complex with the Atp-Competitive Inhibitor 5,6-Dibromo- 1H-Triazolo[4,5-B]Pyridine (pdb code 7a1b). 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 Crystal Structure of Human Protein Kinase CK2ALPHA' (CSNK2A2 Gene Product) in Complex with the Atp-Competitive Inhibitor 5,6-Dibromo- 1H-Triazolo[4,5-B]Pyridine, PDB code: 7a1b:

Sodium binding site 1 out of 1 in 7a1b

Go back to Sodium Binding Sites List in 7a1b
Sodium binding site 1 out of 1 in the Crystal Structure of Human Protein Kinase CK2ALPHA' (CSNK2A2 Gene Product) in Complex with the Atp-Competitive Inhibitor 5,6-Dibromo- 1H-Triazolo[4,5-B]Pyridine


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of Crystal Structure of Human Protein Kinase CK2ALPHA' (CSNK2A2 Gene Product) in Complex with the Atp-Competitive Inhibitor 5,6-Dibromo- 1H-Triazolo[4,5-B]Pyridine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Na410

b:9.9
occ:0.22
 O A:GLN37 2.4 20.0 1.0
HA A:ASP38 2.4 25.9 1.0
O A:TYR40 2.5 16.4 1.0
HG2 A:GLN37 2.7 31.0 1.0
C A:GLN37 3.1 20.7 1.0
H A:TYR40 3.2 18.1 1.0
CA A:ASP38 3.2 21.6 1.0
N A:ASP38 3.5 20.7 1.0
C A:ASP38 3.6 20.1 1.0
C A:TYR40 3.6 14.6 1.0
CG A:GLN37 3.7 25.8 1.0
O A:ASP38 3.8 22.6 1.0
N A:TYR40 3.9 15.1 1.0
HB2 A:TYR40 3.9 17.2 1.0
OD1 A:ASP38 4.1 25.8 1.0
HG3 A:GLN37 4.1 31.0 1.0
HB3 A:GLN37 4.2 27.7 1.0
CA A:TYR40 4.2 13.7 1.0
CB A:GLN37 4.3 23.1 1.0
CA A:GLN37 4.3 21.6 1.0
H A:ASP38 4.3 24.8 1.0
OE1 A:GLN37 4.4 28.7 1.0
N A:ASP39 4.4 19.4 1.0
HA A:GLN41 4.5 15.5 1.0
CB A:ASP38 4.5 24.1 1.0
CD A:GLN37 4.5 28.0 1.0
CB A:TYR40 4.6 14.3 1.0
H A:ASP39 4.7 23.2 1.0
HA A:GLN37 4.7 25.9 1.0
HB3 A:ASP38 4.7 28.9 1.0
CG A:ASP38 4.8 26.2 1.0
N A:GLN41 4.8 12.9 1.0
C A:ASP39 5.0 16.8 1.0

Reference:

K.Chojnacki, D.Lindenblatt, P.Winska, M.Wielechowska, C.Toelzer, K.Niefind, M.Bretner. Synthesis, Biological Properties and Structural Study of New Halogenated Azolo[4,5-B]Pyridines As Inhibitors of CK2 Kinase Bioorg.Chem. 2020.
ISSN: ISSN 0045-2068
DOI: 10.1016/J.BIOORG.2020.104502
Page generated: Tue Oct 8 15:45:02 2024

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