Magnesium in the structure of High Resolution Structure Of the Periplasmic Binding Protein Teaa From Teaabc Trap Transporter of Halomonas Elongata in Complex With Hydroxyectoine (pdb 2vpo)

The binding sites of Magnesium atom in the structure of High Resolution Structure Of the Periplasmic Binding Protein Teaa From Teaabc Trap Transporter of Halomonas Elongata in Complex With Hydroxyectoine (pdb code 2vpo). This binding sites where shown with 5.0 Angstroms radius around Magnesium atom. The 2vpo structure was solved by S.I.KUHLMANN, A.C.TERWISSCHA VAN SCHELTINGA, R.BIENERT, H.J.KUNTE, C.ZIEGLER, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 19.8-1.8 Space group P1 a (A) 48.600 b (A) 52.100 c (A) 63.700 alpha (°) 80.80 beta (°) 85.70 gamma (°) 78.00 Rfactor (%) 17.9 Rfree (%) 22.5 Magnesium Binding Sites: Magnesium binding site 1 out of 2 in 2vpo Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Magnesium in the PDB 2vpo. 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: Val26, A: Glu27, A: Asp28, A: Ser30, A: Asp31, A: His32, A: Hoh2016, A: Hoh2018, conact list: Atom Atom Distance (A) Mg O A:Val26 4.99 Mg O A:Glu27 2.39 Mg CB A:Glu27 4.62 Mg C A:Glu27 3.48 Mg CA A:Glu27 4.03 Mg N A:Asp28 4.62 Mg O A:Ser30 2.34 Mg N A:Ser30 4.57 Mg C A:Ser30 3.54 Mg CA A:Ser30 4.65 Mg N A:Asp31 4.29 Mg C A:Asp31 4.59 Mg CA A:Asp31 4.16 Mg O A:His32 4.52 Mg N A:His32 4.88 Mg O A:Hoh2016 2.55 Mg O A:Hoh2018 2.13 interactive model: Magnesium binding site 2 out of 2 in 2vpo Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Magnesium in the PDB 2vpo. 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: Ala259, A: Ala260, B: Arg4, B: Gly55, B: Ile56, B: Gln58, A: Hoh2042, A: Hoh2043, A: Hoh2121, A: Hoh2122, A: Hoh2123, A: Hoh2125, A: Hoh2126, A: Hoh2127, B: Hoh2039, B: Hoh2041, B: Hoh2042, conact list: Atom Atom Distance (A) Mg O A:Ala259 4.09 Mg O A:Ala260 4.28 Mg C A:Ala260 4.77 Mg NH1 B:Arg4 4.60 Mg O B:Gly55 4.63 Mg O B:Ile56 4.09 Mg C B:Ile56 4.81 Mg CA B:Ile56 4.70 Mg NE2 B:Gln58 4.83 Mg O A:Hoh2042 2.11 Mg O A:Hoh2043 2.32 Mg O A:Hoh2121 2.18 Mg O A:Hoh2122 2.07 Mg O A:Hoh2123 2.02 Mg O A:Hoh2125 4.75 Mg O A:Hoh2126 4.38 Mg O A:Hoh2127 4.20 Mg O B:Hoh2039 2.20 Mg O B:Hoh2041 4.20 Mg O B:Hoh2042 4.67 interactive model: