Magnesium in PDB 3acy: Crystal Structure of the C(30) Carotenoid Dehydrosqualene Synthase From Staphylococcus Aureus Complexed with Bph-702

The structure of Crystal Structure of the C(30) Carotenoid Dehydrosqualene Synthase From Staphylococcus Aureus Complexed with Bph-702, PDB code: 3acy was solved by C.I.Liu, W.Y.Jeng, A.H.J.Wang, E.Oldfield, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 1.84
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	80.494, 80.494, 90.788, 90.00, 90.00, 120.00
R / Rfree (%)	16.7 / 21.8

The binding sites of Magnesium atom in the Crystal Structure of the C(30) Carotenoid Dehydrosqualene Synthase From Staphylococcus Aureus Complexed with Bph-702 (pdb code 3acy). 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 Bph-702, PDB code: 3acy:

Magnesium binding site 1 out of 1 in the Crystal Structure of the C(30) Carotenoid Dehydrosqualene Synthase From Staphylococcus Aureus Complexed with Bph-702


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 Bph-702 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1002 b:34.8 occ:1.00 O A:HOH595 2.2 35.8 1.0 OD2 A:ASP172 2.3 18.9 1.0 O A:HOH592 2.3 16.8 1.0 O A:HOH551 2.3 23.7 1.0 OD1 A:ASN168 2.3 27.6 1.0 O A:HOH593 2.4 37.9 1.0 CG A:ASP172 3.3 16.6 1.0 CG A:ASN168 3.3 22.4 1.0 O A:HOH603 3.5 43.8 1.0 CB A:ASP172 3.6 14.7 1.0 O A:HOH571 3.7 32.9 1.0 ND2 A:ASN168 3.7 30.2 1.0 OAB A:7021001 3.8 67.9 1.0 OD2 A:ASP176 4.1 13.9 1.0 O A:ASN168 4.1 12.4 1.0 OD1 A:ASP176 4.2 15.1 1.0 OD1 A:ASP172 4.4 16.6 1.0 OAF A:7021001 4.5 68.5 1.0 C A:ASN168 4.5 12.8 1.0 NH2 A:ARG171 4.5 19.1 1.0 CB A:ASN168 4.6 15.9 1.0 CG A:ASP176 4.6 15.3 1.0 O A:HOH531 4.7 43.8 1.0 O A:HOH594 4.9 40.1 1.0 N A:ILE169 5.0 12.5 1.0

F.Y.Lin, C.I.Liu, Y.L.Liu, Y.Zhang, K.Wang, W.Y.Jeng, T.P.Ko, R.Cao, A.H.J.Wang, E.Oldfield. Mechanism of Action and Inhibition of Dehydrosqualene Synthase Proc.Natl.Acad.Sci.Usa V. 107 21337 2010.
ISSN: ISSN 0027-8424
PubMed: 21098670
DOI: 10.1073/PNAS.1010907107