Magnesium in the structure of Crystal Structure of Sulfolobus Tokodaii Hexokinase in Complex With Xylose, MG2+, and Adp (pdb 2e2q)

The binding sites of Magnesium atom in the structure of Crystal Structure of Sulfolobus Tokodaii Hexokinase in Complex With Xylose, MG2+, and Adp (pdb code 2e2q). This binding sites where shown with 5.0 Angstroms radius around Magnesium atom. The 2e2q structure was solved by H.NISHIMASU, S.FUSHINOBU, H.SHOUN, T.WAKAGI, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 49.5-2.0 Space group C121 a (A) 143.440 b (A) 81.470 c (A) 52.510 alpha (°) 90.00 beta (°) 109.40 gamma (°) 90.00 Rfactor (%) 21.3 Rfree (%) 25.5 Magnesium Binding Sites: Magnesium binding site 1 out of 1 in 2e2q Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Magnesium in the PDB 2e2q. 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: Asp8, A: Gly10, A: Lys15, A: Asp95, A: Ile113, A: Adp302, A: Hoh303, A: Hoh313, A: Hoh319, A: Hoh332, A: Hoh338, A: Hoh350, A: Hoh368, A: Hoh369, A: Hoh370, conact list: Atom Atom Distance (A) Mg OD2 A:Asp8 4.03 Mg OD1 A:Asp8 4.06 Mg CG A:Asp8 4.46 Mg CA A:Gly10 4.36 Mg NZ A:Lys15 4.39 Mg OD2 A:Asp95 3.86 Mg CG A:Asp95 4.93 Mg CG2 A:Ile113 4.38 Mg O3B A:Adp302 4.50 Mg PA A:Adp302 4.65 Mg O1B A:Adp302 3.94 Mg PB A:Adp302 3.41 Mg O2B A:Adp302 2.00 Mg O3A A:Adp302 4.16 Mg O1A A:Adp302 4.09 Mg O A:Hoh303 2.18 Mg O A:Hoh313 4.37 Mg O A:Hoh319 4.20 Mg O A:Hoh332 2.20 Mg O A:Hoh338 2.18 Mg O A:Hoh350 3.70 Mg O A:Hoh368 2.10 Mg O A:Hoh369 2.10 Mg O A:Hoh370 4.05 interactive model: