Sodium in the structure of The Crystal Structure of Fructose 1,6-Bisphosphate Aldolase From Bacillus Anthracis Str. 'Ames Ancestor' (pdb 3q94)

The binding sites of Sodium atom in the structure of The Crystal Structure of Fructose 1,6-Bisphosphate Aldolase From Bacillus Anthracis Str. 'Ames Ancestor' (pdb code 3q94). This binding sites where shown with 5.0 Angstroms radius around Sodium atom. The 3q94 structure was solved by K.TAN, M.ZHOU, K.KWON, W.F.ANDERSON, A.JOACHIMIAK, CENTER FOR STRUCTURALGENOMICS OF INFECTIOUS DISEASES (CSGID), with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 45.5-2.3 Space group P3121 a (A) 95.155 b (A) 95.155 c (A) 155.967 alpha (°) 90.00 beta (°) 90.00 gamma (°) 120.00 Rfactor (%) 16.6 Rfree (%) 22.2 Sodium Binding Sites: Sodium binding site 1 out of 2 in 3q94 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Sodium in the PDB 3q94. 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: Val180, A: His181, A: Gly182, A: Pro183, A: Tyr184, A: Gly210, A: Gly211, A: Thr212, A: Gly213, A: 13p321, conact list: Atom Atom Distance (A) Na O A:Val180 2.53 Na N A:Val180 4.76 Na CB A:Val180 4.86 Na C A:Val180 3.71 Na CA A:Val180 4.73 Na N A:His181 4.48 Na C A:His181 4.15 Na CA A:His181 4.31 Na O A:Gly182 2.54 Na N A:Gly182 3.60 Na C A:Gly182 3.59 Na CA A:Gly182 4.12 Na N A:Pro183 4.69 Na CA A:Pro183 4.93 Na CE2 A:Tyr184 3.08 Na CD2 A:Tyr184 3.77 Na CZ A:Tyr184 3.71 Na CE1 A:Tyr184 4.80 Na CG A:Tyr184 4.86 Na OH A:Tyr184 3.79 Na O A:Gly210 2.72 Na N A:Gly210 4.94 Na C A:Gly210 3.17 Na CA A:Gly210 3.49 Na O A:Gly211 4.91 Na N A:Gly211 4.07 Na C A:Gly211 4.23 Na CA A:Gly211 4.68 Na O A:Thr212 2.49 Na N A:Thr212 3.62 Na CB A:Thr212 3.98 Na CG2 A:Thr212 4.86 Na OG1 A:Thr212 4.99 Na C A:Thr212 3.50 Na CA A:Thr212 3.88 Na N A:Gly213 4.68 Na P A:13p321 4.00 Na O3P A:13p321 4.96 Na O1 A:13p321 4.76 Na O1P A:13p321 2.49 Na O2P A:13p321 4.39 interactive model: Sodium binding site 2 out of 2 in 3q94 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Sodium in the PDB 3q94. 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: B: Val180, B: His181, B: Gly182, B: Pro183, B: Tyr184, B: Gly210, B: Gly211, B: Thr212, B: Gly213, B: 13p321, conact list: Atom Atom Distance (A) Na O B:Val180 2.50 Na N B:Val180 4.69 Na CB B:Val180 4.87 Na C B:Val180 3.71 Na CA B:Val180 4.68 Na N B:His181 4.52 Na C B:His181 4.27 Na CA B:His181 4.40 Na O B:Gly182 2.66 Na N B:Gly182 3.71 Na C B:Gly182 3.71 Na CA B:Gly182 4.24 Na N B:Pro183 4.82 Na CE2 B:Tyr184 3.10 Na CD2 B:Tyr184 3.80 Na CZ B:Tyr184 3.63 Na CE1 B:Tyr184 4.67 Na CG B:Tyr184 4.82 Na OH B:Tyr184 3.73 Na O B:Gly210 2.77 Na N B:Gly210 4.90 Na C B:Gly210 3.22 Na CA B:Gly210 3.46 Na O B:Gly211 4.84 Na N B:Gly211 4.16 Na C B:Gly211 4.22 Na CA B:Gly211 4.71 Na O B:Thr212 2.55 Na N B:Thr212 3.66 Na CB B:Thr212 4.05 Na CG2 B:Thr212 4.88 Na C B:Thr212 3.52 Na CA B:Thr212 3.92 Na N B:Gly213 4.66 Na P B:13p321 4.03 Na O3P B:13p321 4.43 Na O1 B:13p321 4.83 Na O2P B:13p321 2.49 interactive model: