Sodium in the structure of Pantothenate Kinase From Mycobacterium Tuberculosis (Mtpank) in Complex With Citrate Anion (pdb 2zs7)

The binding sites of Sodium atom in the structure of Pantothenate Kinase From Mycobacterium Tuberculosis (Mtpank) in Complex With Citrate Anion (pdb code 2zs7). This binding sites where shown with 5.0 Angstroms radius around Sodium atom. The 2zs7 structure was solved by B.CHETNANI, S.DAS, P.KUMAR, A.SUROLIA, M.VIJAYAN, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 24.0-2.6 Space group P3121 a (A) 103.506 b (A) 103.506 c (A) 90.657 alpha (°) 90.00 beta (°) 90.00 gamma (°) 120.00 Rfactor (%) 20.3 Rfree (%) 24.5 Sodium Binding Sites: Sodium binding site 1 out of 2 in 2zs7 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Sodium in the PDB 2zs7. 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: Lys103, A: Ser104, A: Thr127, A: Asp129, A: His179, A: Glu201, A: Flc600, A: Flc601, A: Na712, A: Hoh347, conact list: Atom Atom Distance (A) Na NZ A:Lys103 4.33 Na CB A:Ser104 4.83 Na OG A:Ser104 3.76 Na CB A:Thr127 4.49 Na CG2 A:Thr127 4.64 Na OG1 A:Thr127 4.97 Na CB A:Asp129 4.88 Na OD2 A:Asp129 3.59 Na OD1 A:Asp129 2.96 Na CG A:Asp129 3.57 Na NE2 A:His179 4.43 Na CE1 A:His179 4.49 Na OE1 A:Glu201 3.93 Na OE2 A:Glu201 3.94 Na CD A:Glu201 4.35 Na OA2 A:Flc600 4.79 Na CA A:Flc600 4.71 Na OA2 A:Flc601 3.35 Na CAC A:Flc601 3.85 Na OA1 A:Flc601 3.58 Na NA A:Na712 4.97 Na O A:Hoh347 3.75 interactive model: Sodium binding site 2 out of 2 in 2zs7 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Sodium in the PDB 2zs7. 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: Val99, A: His179, A: Arg238, A: Flc600, A: Flc601, A: Gol707, A: Na711, A: Hoh390, A: Hoh485, conact list: Atom Atom Distance (A) Na CG1 A:Val99 4.69 Na ND1 A:His179 4.98 Na CE1 A:His179 4.63 Na CZ A:Arg238 4.64 Na NH2 A:Arg238 4.21 Na NH1 A:Arg238 4.11 Na OHB A:Flc600 4.34 Na OA2 A:Flc600 2.64 Na CB A:Flc600 4.14 Na CAC A:Flc600 2.29 Na CA A:Flc600 2.77 Na OA1 A:Flc600 2.55 Na OHB A:Flc601 3.31 Na OA2 A:Flc601 3.85 Na CB A:Flc601 4.29 Na CAC A:Flc601 3.69 Na CG A:Flc601 4.77 Na CA A:Flc601 4.29 Na OA1 A:Flc601 3.69 Na O2 A:Gol707 3.05 Na C3 A:Gol707 3.48 Na O3 A:Gol707 2.55 Na C2 A:Gol707 3.78 Na NA A:Na711 4.97 Na O A:Hoh390 3.55 Na O A:Hoh485 2.93 interactive model: