Magnesium in PDB 2izs: Structure of Casein Kinase Gamma 3 in Complex with Inhibitor

All present enzymatic activity of Structure of Casein Kinase Gamma 3 in Complex with Inhibitor:
2.7.11.1;

The structure of Structure of Casein Kinase Gamma 3 in Complex with Inhibitor, PDB code: 2izs was solved by G.Bunkoczi, E.Salah, P.Rellos, S.Das, O.Fedorov, P.Savitsky, J.E.Debreczeni, O.Gileadi, M.Sundstrom, A.Edwards, C.Arrowsmith, J.Weigelt, F.Von Delft, S.Knapp, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.26 / 1.95
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	56.029, 56.029, 220.089, 90.00, 90.00, 120.00
R / Rfree (%)	17.9 / 23.4

The structure of Structure of Casein Kinase Gamma 3 in Complex with Inhibitor also contains other interesting chemical elements:

Fluorine	(F)	1 atom
Chlorine	(Cl)	3 atoms

The binding sites of Magnesium atom in the Structure of Casein Kinase Gamma 3 in Complex with Inhibitor (pdb code 2izs). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Structure of Casein Kinase Gamma 3 in Complex with Inhibitor, PDB code: 2izs:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Structure of Casein Kinase Gamma 3 in Complex with Inhibitor


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Structure of Casein Kinase Gamma 3 in Complex with Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1335 b:38.1 occ:1.00 O A:HOH2053 2.1 29.5 1.0 O A:HOH2071 2.2 18.0 1.0 O A:HOH2052 2.2 34.9 1.0 O A:HOH2032 2.4 33.1 1.0 CG A:GLN101 3.6 17.5 0.5 CD A:GLN101 4.0 21.0 0.5 O A:ILE99 4.1 14.7 1.0 OE1 A:GLU117 4.1 20.5 1.0 O A:HOH2120 4.1 18.9 1.0 NE2 A:GLN101 4.2 11.7 0.5 O A:HOH2056 4.3 9.2 1.0 O A:HOH2118 4.4 23.0 1.0 O A:GLY96 4.4 14.1 1.0 OE1 A:GLN101 4.6 33.9 0.5 CD A:GLU117 4.9 14.4 1.0 OE2 A:GLU117 4.9 17.8 1.0 N A:GLN101 4.9 15.7 1.0 CB A:GLN101 4.9 17.0 0.5 CB A:GLN101 5.0 17.5 0.5

Magnesium binding site 2 out of 2 in the Structure of Casein Kinase Gamma 3 in Complex with Inhibitor


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Structure of Casein Kinase Gamma 3 in Complex with Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1336 b:50.6 occ:1.00 O A:HOH2107 1.9 24.0 1.0 O A:HOH2114 2.0 33.1 1.0 OD2 A:ASP185 2.1 34.7 1.0 O A:HOH2122 2.4 30.3 1.0 CG A:ASP185 3.3 16.4 1.0 OD2 A:ASP162 3.4 22.3 1.0 O A:HOH2038 3.8 23.6 1.0 NZ A:LYS164 3.8 26.3 1.0 CE A:LYS164 3.9 20.8 1.0 OD1 A:ASP185 3.9 19.3 1.0 OD1 A:ASN167 4.1 19.4 1.0 ND2 A:ASN167 4.1 10.7 1.0 O A:HOH2025 4.1 28.7 1.0 O A:HOH2105 4.1 20.5 1.0 O A:HOH2033 4.3 26.8 1.0 CB A:ASP185 4.4 14.7 1.0 CG A:ASP162 4.4 19.8 1.0 CG A:ASN167 4.5 12.4 1.0 O A:HOH2113 4.6 21.0 1.0 O A:HOH2054 4.7 14.8 0.5 OD1 A:ASP162 4.7 16.9 1.0 O A:HOH2106 4.8 23.5 1.0 O A:HOH2121 4.9 25.6 1.0

G.Bunkoczi, E.Salah, P.Rellos, S.Das, O.Fedorov, P.Savitsky, J.E.Debreczeni, O.Gileadi, M.Sundstrom, A.Edwards, C.Arrowsmith, J.Weigelt, F.Von Delft, S.Knapp. Inhibitor Binding By Casein Kinases To Be Published.