Magnesium in PDB 4ea2: Crystal Structure of Dehydrosqualene Synthase (Crtm) Aureus Complexed with Sq-109

All present enzymatic activity of Crystal Structure of Dehydrosqualene Synthase (Crtm) Aureus Complexed with Sq-109:
2.5.1.96;

The structure of Crystal Structure of Dehydrosqualene Synthase (Crtm) Aureus Complexed with Sq-109, PDB code: 4ea2 was solved by F.-Y.Lin, K.Li, Y.-L.Liu, E.Oldfield, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	34.70 / 2.05
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	80.146, 80.146, 90.861, 90.00, 90.00, 120.00
R / Rfree (%)	20.6 / 26

The binding sites of Magnesium atom in the Crystal Structure of Dehydrosqualene Synthase (Crtm) Aureus Complexed with Sq-109 (pdb code 4ea2). 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 Crystal Structure of Dehydrosqualene Synthase (Crtm) Aureus Complexed with Sq-109, PDB code: 4ea2:

Magnesium binding site 1 out of 1 in the Crystal Structure of Dehydrosqualene Synthase (Crtm) Aureus Complexed with Sq-109


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 Dehydrosqualene Synthase (Crtm) Aureus Complexed with Sq-109 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg303 b:75.6 occ:1.00 O A:HOH462 1.5 73.6 1.0 O A:HOH463 2.1 63.0 1.0 OH A:TYR129 3.3 55.7 1.0 OD2 A:ASP48 3.3 74.9 1.0 CG2 A:VAL133 4.2 40.1 1.0 OD2 A:ASP114 4.2 71.0 1.0 CZ A:TYR129 4.3 40.9 1.0 CG A:ASP48 4.5 64.3 1.0 CE1 A:TYR129 4.6 43.9 1.0 CG A:ASP114 4.7 69.2 1.0 CG2 A:VAL111 4.9 37.9 1.0

F.Y.Lin, Y.L.Liu, K.Li, R.Cao, W.Zhu, J.Axelson, R.Pang, E.Oldfield. Head-to-Head Prenyl Tranferases: Anti-Infective Drug Targets. J.Med.Chem. V. 55 4367 2012.
ISSN: ISSN 0022-2623
PubMed: 22486710
DOI: 10.1021/JM300208P