Sodium in PDB 6hmq: Structure of Protein Kinase CK2 Catalytic Subunit (Isoform CK2ALPHA'; CSNK2A2 Gene Product) in Complex with the Benzotriazole-Type Inhibitor MB002

The structure of Structure of Protein Kinase CK2 Catalytic Subunit (Isoform CK2ALPHA'; CSNK2A2 Gene Product) in Complex with the Benzotriazole-Type Inhibitor MB002, PDB code: 6hmq was solved by K.Niefind, D.Lindenblatt, V.M.Applegate, J.Jose, M.Le Borgne, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.13 / 0.97
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	46.140, 47.220, 50.290, 113.47, 90.76, 90.27
R / Rfree (%)	12 / 13.2

The structure of Structure of Protein Kinase CK2 Catalytic Subunit (Isoform CK2ALPHA'; CSNK2A2 Gene Product) in Complex with the Benzotriazole-Type Inhibitor MB002 also contains other interesting chemical elements:

Bromine	(Br)	4 atoms
Chlorine	(Cl)	2 atoms

The binding sites of Sodium atom in the Structure of Protein Kinase CK2 Catalytic Subunit (Isoform CK2ALPHA'; CSNK2A2 Gene Product) in Complex with the Benzotriazole-Type Inhibitor MB002 (pdb code 6hmq). 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 (Isoform CK2ALPHA'; CSNK2A2 Gene Product) in Complex with the Benzotriazole-Type Inhibitor MB002, PDB code: 6hmq:

Sodium binding site 1 out of 1 in the Structure of Protein Kinase CK2 Catalytic Subunit (Isoform CK2ALPHA'; CSNK2A2 Gene Product) in Complex with the Benzotriazole-Type Inhibitor MB002


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 (Isoform CK2ALPHA'; CSNK2A2 Gene Product) in Complex with the Benzotriazole-Type Inhibitor MB002 within 5.0Å range: probe atom residue distance (Å) B Occ A:Na414 b:20.5 occ:0.44 OD2 A:ASP206 2.2 23.7 1.0 O A:HOH715 2.6 21.2 1.0 HE2 A:PHE270 2.8 20.6 1.0 O A:LEU204 2.8 13.2 1.0 HA A:VAL205 2.8 13.6 1.0 CG A:ASP206 3.1 21.4 1.0 HB2 A:ASP267 3.2 19.0 1.0 HB3 A:ASP267 3.5 19.0 1.0 CA A:VAL205 3.6 11.3 1.0 OD1 A:ASP206 3.7 24.3 1.0 CE2 A:PHE270 3.7 17.1 1.0 C A:VAL205 3.7 11.6 1.0 C A:LEU204 3.7 11.0 1.0 CB A:ASP267 3.8 15.8 1.0 H A:ASP267 3.9 18.2 1.0 O A:HOH659 3.9 39.9 1.0 HB2 A:ASP206 3.9 17.3 1.0 N A:ASP206 3.9 11.2 1.0 CB A:ASP206 4.1 14.4 1.0 N A:VAL205 4.1 11.1 1.0 H A:ASP206 4.1 13.5 1.0 O A:VAL205 4.1 13.3 1.0 HZ A:PHE270 4.2 22.2 1.0 CZ A:PHE270 4.4 18.5 1.0 OD2 A:ASP267 4.4 20.1 1.0 HD2 A:PHE270 4.5 18.4 1.0 HD12 A:LEU266 4.6 21.9 1.0 HE1 A:TYR240 4.6 27.1 1.0 CD2 A:PHE270 4.6 15.3 1.0 CA A:ASP206 4.6 12.2 1.0 N A:ASP267 4.7 15.2 1.0 CG A:ASP267 4.7 18.5 1.0 HG12 A:VAL205 4.8 15.7 1.0 CB A:VAL205 4.8 12.1 1.0 HA A:LEU204 4.9 13.0 1.0 HB A:VAL205 4.9 14.5 1.0 HB3 A:ASP206 4.9 17.3 1.0 H A:VAL205 4.9 13.3 1.0 CA A:ASP267 4.9 15.8 1.0 CA A:LEU204 5.0 10.8 1.0

D.Lindenblatt, A.Nickelsen, V.M.Applegate, J.Hochscherf, B.Witulski, Z.Bouaziz, C.Marminon, M.Bretner, M.Le Borgne, J.Jose, K.Niefind. Diacritic Binding of An Indenoindole Inhibitor By CK2 Alpha Paralogs Explored By A Reliable Path to Atomic Resolution CK2 Alpha ' Structures. Acs Omega V. 4 5471 2019.
ISSN: ESSN 2470-1343
PubMed: 31559376
DOI: 10.1021/ACSOMEGA.8B03415