Sodium in the structure of G117H Mutant of Human Butyrylcholinesterase in Complex With Echothiophate (pdb 2xmd)

The binding sites of Sodium atom in the structure of G117H Mutant of Human Butyrylcholinesterase in Complex With Echothiophate (pdb code 2xmd). This binding sites where shown with 5.0 Angstroms radius around Sodium atom. The 2xmd structure was solved by F.NACHON, E.CARLETTI, M.WANDHAMMER, Y.NICOLET, L.M.SCHOPFER, P.MASSON, O.LOCKRIDGE, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 28.1-2.3 Space group I422 a (A) 154.880 b (A) 154.880 c (A) 127.530 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 17.006 Rfree (%) 21.417 Sodium Binding Sites: Sodium binding site 1 out of 2 in 2xmd Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Sodium in the PDB 2xmd. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Sodium atom, shown by VdW sphere Residues shown as a stick model or VDW spheres: A: His117, A: Pro285, A: Phe329, A: Tyr332, A: Dep1530, A: Hoh2002, A: Hoh2078, A: Hoh2140, A: Hoh2164, conact list: Atom Atom Distance (A) Na NE2 A:His117 4.47 Na ND1 A:His117 4.69 Na CE1 A:His117 3.72 Na O A:Pro285 4.65 Na CE2 A:Phe329 4.48 Na CD2 A:Phe329 4.71 Na CE2 A:Tyr332 4.71 Na CD1 A:Tyr332 4.85 Na CZ A:Tyr332 4.40 Na CE1 A:Tyr332 4.48 Na OH A:Tyr332 4.64 Na C4 A:Dep1530 3.95 Na O A:Hoh2002 3.71 Na O A:Hoh2078 4.89 Na O A:Hoh2140 3.19 Na O A:Hoh2164 4.79 interactive model: Sodium binding site 2 out of 2 in 2xmd Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Sodium in the PDB 2xmd. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Sodium atom, shown by VdW sphere Residues shown as a stick model or VDW spheres: A: Met302, A: Unx1568, A: Unx1569, A: Unx1570, A: Br1535, conact list: Atom Atom Distance (A) Na SD A:Met302 4.83 Na UNK A:Unx1568 2.95 Na UNK A:Unx1569 3.64 Na UNK A:Unx1570 4.48 Na BR A:Br1535 4.52 interactive model: