Magnesium in PDB 6e2u: Mddef in Complex with Mvapp, Amppcp and Magnesium

All present enzymatic activity of Mddef in Complex with Mvapp, Amppcp and Magnesium:
4.1.1.33;

The structure of Mddef in Complex with Mvapp, Amppcp and Magnesium, PDB code: 6e2u was solved by C.V.Stauffacher, C.-L.Chen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	28.83 / 2.05
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	80.037, 97.036, 46.018, 90.00, 90.00, 90.00
R / Rfree (%)	19.6 / 21.6

The binding sites of Magnesium atom in the Mddef in Complex with Mvapp, Amppcp and Magnesium (pdb code 6e2u). 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 Mddef in Complex with Mvapp, Amppcp and Magnesium, PDB code: 6e2u:

Magnesium binding site 1 out of 1 in the Mddef in Complex with Mvapp, Amppcp and Magnesium


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Mddef in Complex with Mvapp, Amppcp and Magnesium within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg403 b:39.6 occ:0.75 O2G A:ACP402 2.1 38.6 0.8 O2B A:ACP402 2.2 37.1 0.8 O1A A:DP6401 2.3 24.7 1.0 OG A:SER106 2.6 36.2 1.0 O2A A:ACP402 2.8 35.3 0.8 HG A:SER191 3.0 38.8 1.0 HG A:SER106 3.2 43.5 1.0 H51 A:DP6401 3.3 35.3 1.0 HB3 A:SER106 3.3 42.3 1.0 HB1 A:ALA104 3.3 53.1 1.0 PG A:ACP402 3.5 41.3 0.8 PB A:ACP402 3.5 36.8 0.8 CB A:SER106 3.5 35.2 1.0 PA A:DP6401 3.6 23.9 1.0 O A:HOH544 3.6 36.0 1.0 H A:SER106 3.8 39.7 1.0 H52 A:DP6401 3.8 35.3 1.0 OG A:SER191 3.8 32.3 1.0 C3B A:ACP402 3.8 42.8 0.8 C5 A:DP6401 3.8 29.4 1.0 H3B2 A:ACP402 3.9 51.4 0.8 HZ3 A:LYS71 3.9 34.3 1.0 PA A:ACP402 4.0 42.7 0.8 O5 A:DP6401 4.0 29.7 1.0 HG A:SER140 4.0 27.3 1.0 O3A A:ACP402 4.0 39.4 0.8 O A:HOH524 4.1 38.4 1.0 OG A:SER140 4.2 22.7 1.0 HB2 A:SER106 4.2 42.3 1.0 O2A A:DP6401 4.2 24.6 1.0 CB A:ALA104 4.3 44.2 1.0 O3G A:ACP402 4.3 30.9 0.8 H A:ALA107 4.4 36.3 1.0 N A:SER106 4.5 33.0 1.0 HB3 A:SER191 4.5 31.3 1.0 O1G A:ACP402 4.5 40.4 0.8 CA A:SER106 4.5 38.2 1.0 HB2 A:ALA104 4.5 53.1 1.0 HG A:SER138 4.6 33.8 1.0 HB3 A:ALA104 4.6 53.1 1.0 NZ A:LYS71 4.6 28.6 1.0 O1B A:ACP402 4.7 41.2 0.8 CB A:SER191 4.7 26.1 1.0 HZ2 A:LYS71 4.7 34.3 1.0 OG A:SER138 4.7 28.2 1.0 HZ1 A:LYS71 4.7 34.3 1.0 O5' A:ACP402 4.8 41.0 0.8 O6 A:DP6401 4.8 23.7 1.0 H3B1 A:ACP402 4.9 51.4 0.8 N A:ALA107 4.9 30.2 1.0 HB2 A:SER191 4.9 31.3 1.0

C.V.Stauffacher, C.-L.Chen. Visualizing the Enzyme Mechanism of the Mevalonate Diphosphate Decarboxylase To Be Published.