Magnesium in PDB 3vjc: Crystal Structure of the Human Squalene Synthase in Complex with Zaragozic Acid A

All present enzymatic activity of Crystal Structure of the Human Squalene Synthase in Complex with Zaragozic Acid A:
2.5.1.21;

The structure of Crystal Structure of the Human Squalene Synthase in Complex with Zaragozic Acid A, PDB code: 3vjc was solved by C.I.Liu, W.Y.Jeng, W.J.Chang, T.P.Ko, A.H.J.Wang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	27.70 / 1.89
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	85.873, 153.153, 91.855, 90.00, 91.72, 90.00
R / Rfree (%)	14.8 / 19.7

The binding sites of Magnesium atom in the Crystal Structure of the Human Squalene Synthase in Complex with Zaragozic Acid A (pdb code 3vjc). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Crystal Structure of the Human Squalene Synthase in Complex with Zaragozic Acid A, PDB code: 3vjc:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of the Human Squalene Synthase in Complex with Zaragozic Acid A


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structure of the Human Squalene Synthase in Complex with Zaragozic Acid A within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg402 b:32.6 occ:1.00 O B:GLU191 2.7 24.6 1.0 C B:GLU191 3.8 23.5 1.0 CB B:GLU191 4.4 25.7 1.0 CA B:GLU191 4.7 23.9 1.0 N B:PHE192 4.7 23.1 1.0 CA B:PHE192 4.8 22.0 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of the Human Squalene Synthase in Complex with Zaragozic Acid A


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Crystal Structure of the Human Squalene Synthase in Complex with Zaragozic Acid A within 5.0Å range: probe atom residue distance (Å) B Occ D:Mg402 b:42.8 occ:1.00 O D:GLU191 2.9 38.6 1.0 C D:GLU191 4.1 37.9 1.0 CB D:GLU191 4.7 39.5 1.0 CA D:GLU191 5.0 37.9 1.0 CA D:PHE192 5.0 36.7 1.0

C.I.Liu, W.Y.Jeng, W.J.Chang, T.P.Ko, A.H.J.Wang. Binding Modes of Zaragozic Acid A to Human Squalene Synthase and Staphylococcal Dehydrosqualene Synthase J.Biol.Chem. V. 287 18750 2012.
ISSN: ISSN 0021-9258
PubMed: 22474324
DOI: 10.1074/JBC.M112.351254