Magnesium in PDB 2zcr: Crystal Structure of the C(30) Carotenoid Dehydrosqualene Synthase From Staphylococcus Aureus Complexed with Bisphosphonate Bph-698

The structure of Crystal Structure of the C(30) Carotenoid Dehydrosqualene Synthase From Staphylococcus Aureus Complexed with Bisphosphonate Bph-698, PDB code: 2zcr was solved by C.I.Liu, W.Y.Jeng, A.H.Wang, E.Oldfield, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 1.92
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	80.360, 80.360, 90.360, 90.00, 90.00, 120.00
R / Rfree (%)	18.1 / 21.8

The binding sites of Magnesium atom in the Crystal Structure of the C(30) Carotenoid Dehydrosqualene Synthase From Staphylococcus Aureus Complexed with Bisphosphonate Bph-698 (pdb code 2zcr). 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 the C(30) Carotenoid Dehydrosqualene Synthase From Staphylococcus Aureus Complexed with Bisphosphonate Bph-698, PDB code: 2zcr:

Magnesium binding site 1 out of 1 in the Crystal Structure of the C(30) Carotenoid Dehydrosqualene Synthase From Staphylococcus Aureus Complexed with Bisphosphonate Bph-698


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 C(30) Carotenoid Dehydrosqualene Synthase From Staphylococcus Aureus Complexed with Bisphosphonate Bph-698 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg669 b:27.4 occ:1.00 OAC A:B69668 2.0 41.7 1.0 OD1 A:ASN168 2.1 23.7 1.0 OAG A:B69668 2.1 47.0 1.0 OD2 A:ASP172 2.1 24.7 1.0 O A:HOH383 2.2 21.5 1.0 O A:HOH400 2.3 28.4 1.0 CG A:ASN168 3.0 22.8 1.0 CG A:ASP172 3.2 26.3 1.0 SBB A:B69668 3.3 50.9 1.0 PBA A:B69668 3.3 46.9 1.0 ND2 A:ASN168 3.4 25.8 1.0 CAZ A:B69668 3.5 46.9 1.0 CB A:ASP172 3.6 22.6 1.0 OAF A:B69668 4.1 52.6 1.0 OE2 A:GLU175 4.1 43.8 1.0 OAD A:B69668 4.2 47.4 1.0 OD2 A:ASP176 4.2 24.5 1.0 O A:HOH450 4.2 38.0 1.0 OD1 A:ASP176 4.2 19.5 1.0 NH2 A:ARG171 4.3 29.9 1.0 O A:ASN168 4.3 20.3 1.0 OD1 A:ASP172 4.3 25.4 1.0 OAE A:B69668 4.4 50.9 1.0 OAB A:B69668 4.4 46.0 1.0 CB A:ASN168 4.4 19.3 1.0 C A:ASN168 4.6 18.1 1.0 CG A:ASP176 4.7 24.0 1.0

C.I.Liu, G.Y.Liu, Y.Song, F.Yin, M.E.Hensler, W.Y.Jeng, V.Nizet, A.H.Wang, E.Oldfield. A Cholesterol Biosynthesis Inhibitor Blocks Staphylococcus Aureus Virulence. Science V. 319 1391 2008.
ISSN: ISSN 0036-8075
PubMed: 18276850
DOI: 10.1126/SCIENCE.1153018