Magnesium in the structure of Crystal Structure of the C(30) Carotenoid Dehydrosqualene Synthase From Staphylococcus Aureus Complexed With Bph-702 (pdb 3acy)

The binding sites of Magnesium atom in the structure of Crystal Structure of the C(30) Carotenoid Dehydrosqualene Synthase From Staphylococcus Aureus Complexed With Bph-702 (pdb code 3acy). This binding sites where shown with 5.0 Angstroms radius around Magnesium atom. The 3acy structure was solved by C.I.LIU, W.Y.JENG, A.H.J.WANG, E.OLDFIELD, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 30.0-1.8 Space group P3221 a (A) 80.494 b (A) 80.494 c (A) 90.788 alpha (°) 90.00 beta (°) 90.00 gamma (°) 120.00 Rfactor (%) 16.7 Rfree (%) 21.8 Magnesium Binding Sites: Magnesium binding site 1 out of 1 in 3acy Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Magnesium in the PDB 3acy. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Magnesium atom, shown by VdW sphere Residues shown as a stick model or VDW spheres: A: Asn168, A: Ile169, A: Arg171, A: Asp172, A: Asp176, A: 7021001, A: Hoh531, A: Hoh551, A: Hoh571, A: Hoh592, A: Hoh593, A: Hoh594, A: Hoh595, A: Hoh603, conact list: Atom Atom Distance (A) Mg O A:Asn168 4.11 Mg CB A:Asn168 4.56 Mg ND2 A:Asn168 3.70 Mg C A:Asn168 4.49 Mg OD1 A:Asn168 2.34 Mg CG A:Asn168 3.28 Mg N A:Ile169 4.99 Mg NH2 A:Arg171 4.50 Mg CB A:Asp172 3.56 Mg OD2 A:Asp172 2.29 Mg OD1 A:Asp172 4.42 Mg CG A:Asp172 3.27 Mg OD2 A:Asp176 4.06 Mg OD1 A:Asp176 4.21 Mg CG A:Asp176 4.56 Mg OAF A:7021001 4.45 Mg OAB A:7021001 3.83 Mg O A:Hoh531 4.75 Mg O A:Hoh551 2.33 Mg O A:Hoh571 3.68 Mg O A:Hoh592 2.31 Mg O A:Hoh593 2.37 Mg O A:Hoh594 4.88 Mg O A:Hoh595 2.19 Mg O A:Hoh603 3.53 interactive model: