Sodium in PDB 8pvo: Crystal Structure of Human Casein Kinase II Subunit Alpha (CK2A1) in Complex with Allosteric Compound FG5

The structure of Crystal Structure of Human Casein Kinase II Subunit Alpha (CK2A1) in Complex with Allosteric Compound FG5, PDB code: 8pvo was solved by A.Kraemer, F.Greco, S.Knapp, Structural Genomics Consortium (Sgc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.17 / 2.25
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	127.648, 127.648, 123.901, 90, 90, 90
R / Rfree (%)	20.8 / 25.3

The structure of Crystal Structure of Human Casein Kinase II Subunit Alpha (CK2A1) in Complex with Allosteric Compound FG5 also contains other interesting chemical elements:

Chlorine

(Cl)

2 atoms

The binding sites of Sodium atom in the Crystal Structure of Human Casein Kinase II Subunit Alpha (CK2A1) in Complex with Allosteric Compound FG5 (pdb code 8pvo). This binding sites where shown within 5.0 Angstroms radius around Sodium atom.
In total 2 binding sites of Sodium where determined in the Crystal Structure of Human Casein Kinase II Subunit Alpha (CK2A1) in Complex with Allosteric Compound FG5, PDB code: 8pvo:
Jump to Sodium binding site number: 1; 2;

Sodium binding site 1 out of 2 in the Crystal Structure of Human Casein Kinase II Subunit Alpha (CK2A1) in Complex with Allosteric Compound FG5


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 Casein Kinase II Subunit Alpha (CK2A1) in Complex with Allosteric Compound FG5 within 5.0Å range: probe atom residue distance (Å) B Occ A:Na414 b:53.4 occ:1.00 O A:SER7 2.6 39.7 1.0 OH A:TYR182 2.6 38.5 1.0 O A:HOH521 2.7 39.0 1.0 N A:GLY185 3.2 36.8 1.0 CZ A:TYR182 3.5 37.7 1.0 CE1 A:TYR182 3.5 34.3 1.0 CG A:MET208 3.5 46.1 1.0 O A:HOH522 3.5 39.2 1.0 C A:SER7 3.6 43.4 1.0 CA A:PRO184 3.8 41.1 1.0 CA A:ARG8 3.8 46.6 1.0 C A:PRO184 4.0 39.7 1.0 NH1 A:ARG8 4.0 55.1 1.0 O A:MET208 4.1 44.8 1.0 N A:ARG8 4.1 45.3 1.0 CA A:GLY185 4.1 39.0 1.0 O A:HIS183 4.2 44.0 1.0 CD A:ARG8 4.2 72.7 1.0 SD A:MET208 4.2 46.8 1.0 N A:GLN186 4.5 45.2 1.0 O A:TYR209 4.6 43.2 1.0 C A:GLY185 4.6 45.0 1.0 C A:MET208 4.6 40.0 1.0 N A:ALA9 4.6 43.8 1.0 O A:GLN186 4.6 42.8 1.0 C A:ARG8 4.7 45.0 1.0 CB A:MET208 4.7 41.0 1.0 N A:PRO184 4.7 36.8 1.0 CB A:PRO184 4.7 41.2 1.0 CE2 A:TYR182 4.7 36.2 1.0 CD1 A:TYR182 4.8 35.4 1.0 C A:HIS183 4.8 41.4 1.0 CB A:ARG8 4.8 56.3 1.0 CA A:SER7 4.9 45.0 1.0 CZ A:ARG8 4.9 75.9 1.0 CA A:MET208 4.9 44.0 1.0 NE A:ARG8 5.0 76.7 1.0

Sodium binding site 2 out of 2 in the Crystal Structure of Human Casein Kinase II Subunit Alpha (CK2A1) in Complex with Allosteric Compound FG5


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 2 of Crystal Structure of Human Casein Kinase II Subunit Alpha (CK2A1) in Complex with Allosteric Compound FG5 within 5.0Å range: probe atom residue distance (Å) B Occ B:Na415 b:57.4 occ:1.00 OH B:TYR182 2.6 38.4 1.0 O B:HOH523 2.6 40.1 1.0 O B:SER7 2.8 50.3 1.0 N B:GLY185 3.1 47.6 1.0 CZ B:TYR182 3.4 38.7 1.0 CE1 B:TYR182 3.5 38.6 1.0 O B:HOH507 3.5 44.2 1.0 CG B:MET208 3.6 51.1 1.0 CA B:PRO184 3.8 46.2 1.0 C B:SER7 3.8 49.3 1.0 CA B:ARG8 3.8 52.1 1.0 C B:PRO184 4.0 47.1 1.0 O B:HIS183 4.0 43.4 1.0 CA B:GLY185 4.1 50.3 1.0 O B:MET208 4.2 44.3 1.0 N B:ARG8 4.2 48.2 1.0 SD B:MET208 4.3 50.7 1.0 N B:GLN186 4.4 51.2 1.0 NH1 B:ARG8 4.4 66.6 1.0 C B:GLY185 4.5 53.5 1.0 O B:TYR209 4.5 47.0 1.0 CG B:ARG8 4.6 79.0 1.0 N B:ALA9 4.6 48.6 1.0 N B:PRO184 4.7 43.6 1.0 C B:ARG8 4.7 52.0 1.0 O B:GLN186 4.7 55.1 1.0 C B:MET208 4.7 47.7 1.0 CE2 B:TYR182 4.7 41.3 1.0 C B:HIS183 4.7 40.7 1.0 CD1 B:TYR182 4.8 36.9 1.0 CB B:PRO184 4.8 43.4 1.0 CB B:ARG8 4.8 60.2 1.0 CB B:MET208 4.8 42.7 1.0

A.Kraemer, F.Greco, S.Knapp, Structural Genomics Consortium (Sgc). Crystal Structure of Human Casein Kinase II Subunit Alpha (CK2A1) in Complex with Allosteric Compound FG5 To Be Published.