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 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:
|
|