Magnesium in PDB 2zcq: Crystal Structure of the C(30) Carotenoid Dehydrosqualene Synthase From Staphylococcus Aureus Complexed with Bisphosphonate Bph-652

The structure of Crystal Structure of the C(30) Carotenoid Dehydrosqualene Synthase From Staphylococcus Aureus Complexed with Bisphosphonate Bph-652, PDB code: 2zcq 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 / 2.38
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	80.440, 80.440, 90.040, 90.00, 90.00, 120.00
R / Rfree (%)	22.3 / 27

The binding sites of Magnesium atom in the Crystal Structure of the C(30) Carotenoid Dehydrosqualene Synthase From Staphylococcus Aureus Complexed with Bisphosphonate Bph-652 (pdb code 2zcq). 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 C(30) Carotenoid Dehydrosqualene Synthase From Staphylococcus Aureus Complexed with Bisphosphonate Bph-652, PDB code: 2zcq:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of the C(30) Carotenoid Dehydrosqualene Synthase From Staphylococcus Aureus Complexed with Bisphosphonate Bph-652


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-652 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg452 b:62.4 occ:1.00 OAC A:B65451 2.2 64.2 1.0 OD2 A:ASP48 2.5 67.1 1.0 OAE A:B65451 2.5 65.0 1.0 OD1 A:ASP52 2.6 93.8 1.0 CG A:ASP48 3.2 64.3 1.0 OD1 A:ASP48 3.2 65.5 1.0 CG A:ASP52 3.3 92.9 1.0 CB A:ASP52 3.4 92.9 1.0 PAX A:B65451 3.5 64.6 1.0 O A:HOH301 3.6 65.9 1.0 SAY A:B65451 3.6 62.1 1.0 OAB A:B65451 3.8 64.6 1.0 CAW A:B65451 4.0 63.4 1.0 OAF A:B65451 4.1 62.8 1.0 NH1 A:ARG45 4.1 61.2 1.0 CAR A:B65451 4.2 62.2 1.0 OD1 A:ASP49 4.4 68.8 1.0 OD2 A:ASP52 4.5 91.6 1.0 CB A:ASP48 4.6 61.0 1.0 O A:ASP48 4.7 63.9 1.0 OAA A:B65451 4.8 64.5 1.0 OAD A:B65451 4.9 61.6 1.0 CA A:ASP52 4.9 91.8 1.0 C A:ASP48 5.0 63.8 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of the C(30) Carotenoid Dehydrosqualene Synthase From Staphylococcus Aureus Complexed with Bisphosphonate Bph-652


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 C(30) Carotenoid Dehydrosqualene Synthase From Staphylococcus Aureus Complexed with Bisphosphonate Bph-652 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg453 b:46.9 occ:1.00 OAF A:B65451 2.1 62.8 1.0 OAB A:B65451 2.2 64.6 1.0 OD2 A:ASP172 2.2 58.8 1.0 OD1 A:ASN168 2.3 52.7 1.0 CG A:ASP172 3.2 55.3 1.0 CG A:ASN168 3.3 52.9 1.0 SAY A:B65451 3.4 62.1 1.0 PAX A:B65451 3.6 64.6 1.0 CB A:ASP172 3.7 55.2 1.0 ND2 A:ASN168 3.7 53.6 1.0 CAW A:B65451 3.9 63.4 1.0 O A:ASN168 4.2 48.3 1.0 OD2 A:ASP176 4.2 58.1 1.0 OAE A:B65451 4.3 65.0 1.0 OD1 A:ASP172 4.3 53.5 1.0 NH2 A:ARG171 4.4 52.5 1.0 OAD A:B65451 4.4 61.6 1.0 OAA A:B65451 4.5 64.5 1.0 C A:ASN168 4.5 48.4 1.0 OAC A:B65451 4.5 64.2 1.0 OD1 A:ASP176 4.6 59.2 1.0 CB A:ASN168 4.6 50.8 1.0 CG A:ASP176 4.9 58.7 1.0 N A:ILE169 5.0 47.1 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