Magnesium in PDB 3zcw: EG5 - New Allosteric Binding Site

The structure of EG5 - New Allosteric Binding Site, PDB code: 3zcw was solved by V.Ulaganathan, S.K.Talapatra, F.Kozielski, A.D.Pannifer, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	28.468 / 1.69
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	107.940, 62.890, 75.050, 90.00, 117.46, 90.00
R / Rfree (%)	19.41 / 23.28

The structure of EG5 - New Allosteric Binding Site also contains other interesting chemical elements:

Fluorine

(F)

8 atoms

The binding sites of Magnesium atom in the EG5 - New Allosteric Binding Site (pdb code 3zcw). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total only one binding site of Magnesium was determined in the EG5 - New Allosteric Binding Site, PDB code: 3zcw:

Magnesium binding site 1 out of 1 in the EG5 - New Allosteric Binding Site


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of EG5 - New Allosteric Binding Site within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1365 b:15.1 occ:1.00 O3B A:ADP1364 2.0 13.6 1.0 O A:HOH2345 2.1 16.8 1.0 O A:HOH2185 2.1 17.1 1.0 OG1 A:THR112 2.1 14.5 1.0 O A:HOH2186 2.2 15.6 1.0 O A:HOH2187 2.2 16.0 1.0 CB A:THR112 3.1 14.0 1.0 PB A:ADP1364 3.2 15.6 1.0 O1B A:ADP1364 3.4 16.9 1.0 N A:THR112 3.9 13.0 1.0 O A:HOH2188 4.0 27.0 1.0 O2A A:ADP1364 4.0 17.9 1.0 O A:HOH2094 4.0 38.8 1.0 CA A:THR112 4.1 11.4 1.0 CG2 A:THR112 4.1 16.6 1.0 OD2 A:ASP265 4.2 17.0 1.0 O3A A:ADP1364 4.2 15.1 1.0 O A:HOH2341 4.2 20.3 1.0 O A:HOH2337 4.2 37.1 1.0 OD1 A:ASP265 4.3 19.1 1.0 O2B A:ADP1364 4.4 12.3 1.0 O A:HOH2326 4.4 35.4 1.0 PA A:ADP1364 4.5 16.1 1.0 O A:HOH2181 4.6 16.8 1.0 CG A:ASP265 4.7 18.5 1.0 O A:HOH2346 4.7 44.8 1.0 OG A:SER233 4.8 30.4 0.5 CB A:LYS111 4.8 12.1 1.0 O1A A:ADP1364 4.8 18.3 1.0 CE A:LYS111 4.8 14.4 1.0 O A:HOH2182 4.9 22.3 1.0 C A:LYS111 4.9 13.0 1.0 NZ A:LYS111 5.0 13.8 1.0

V.Ulaganathan, S.K.Talapatra, O.Rath, A.D.Pannifer, D.D.Hackney, F.Kozielski. Structural Insights Into A Unique Inhibitor Binding Pocket in Kinesin Spindle Protein. J.Am.Chem.Soc. V. 135 2263 2013.
ISSN: ISSN 0002-7863
PubMed: 23305346
DOI: 10.1021/JA310377D