Magnesium in PDB 2izr: 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: 2izr 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)	49.15 / 1.30
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	56.724, 56.724, 223.344, 90.00, 90.00, 120.00
R / Rfree (%)	13 / 15.8

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

Chlorine

(Cl)

4 atoms

The binding sites of Magnesium atom in the Structure of Casein Kinase Gamma 3 in Complex with Inhibitor (pdb code 2izr). 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: 2izr:
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:Mg1336 b:17.9 occ:0.50 O A:HOH2063 2.0 40.1 1.0 O A:HOH2138 2.0 35.3 1.0 O A:HOH2139 2.0 35.9 1.0 O A:HOH2119 2.1 27.7 1.0 O A:HOH2165 2.1 20.1 1.0 O A:HOH2062 2.2 30.7 1.0 CG A:GLN101 3.7 18.4 0.5 NE2 A:GLN101 4.0 35.9 0.5 CD A:GLN101 4.1 20.4 0.5 O A:HOH2130 4.1 22.7 1.0 OE1 A:GLU117 4.1 16.9 1.0 O A:HOH2122 4.3 46.3 1.0 O A:HOH2166 4.3 39.6 1.0 O A:ILE99 4.3 13.8 1.0 O A:HOH2131 4.3 21.1 1.0 O A:HOH2167 4.3 18.9 1.0 O A:HOH2134 4.5 40.8 1.0 OE1 A:GLN101 4.7 25.0 0.5 O A:GLY96 4.8 17.4 1.0 O A:HOH2280 4.8 46.0 1.0 OE1 A:GLN101 4.9 29.6 0.5 CD A:GLU117 4.9 17.6 1.0 OE2 A:GLU117 4.9 21.4 1.0 CB A:GLN101 5.0 15.1 0.5 N A:GLN101 5.0 12.9 1.0

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:Mg1337 b:18.7 occ:0.50 O A:HOH2274 1.8 30.7 1.0 O A:HOH2263 2.0 23.6 1.0 O A:HOH2269 2.0 34.7 1.0 O A:HOH2286 2.1 26.6 1.0 O A:HOH2287 2.2 35.1 1.0 OD2 A:ASP185 2.2 26.6 1.0 CG A:ASP185 3.5 18.9 1.0 NZ A:LYS164 3.9 28.1 1.0 OD2 A:ASP162 3.9 15.1 1.0 CE A:LYS164 4.0 30.7 1.0 O A:HOH2059 4.1 37.6 1.0 OD1 A:ASP185 4.2 17.8 1.0 OD1 A:ASN167 4.2 13.2 1.0 O A:HOH2128 4.2 38.2 1.0 O A:HOH2126 4.2 30.0 1.0 O A:HOH2273 4.3 23.6 1.0 O A:HOH2125 4.5 33.5 1.0 O A:HOH2288 4.5 34.8 1.0 CB A:ASP185 4.5 14.7 1.0 O A:HOH2265 4.5 19.1 1.0 ND2 A:ASN167 4.5 11.6 1.0 O A:HOH2058 4.7 29.0 1.0 CG A:ASN167 4.8 11.4 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.