Sodium in the structure of Crystallographic Analysis of Counter-Ion Effects on Subtilisin Enzymatic Action in Acetonitrile (Native Data) (pdb 2wuw)

The binding sites of Sodium atom in the structure of Crystallographic Analysis of Counter-Ion Effects on Subtilisin Enzymatic Action in Acetonitrile (Native Data) (pdb code 2wuw). This binding sites where shown with 5.0 Angstroms radius around Sodium atom. The 2wuw structure was solved by M.CIANCI, B.TOMASZEWKI, J.R.HELLIWELL, P.J.HALLING, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 44.7-2.2 Space group P212121 a (A) 52.668 b (A) 55.314 c (A) 75.989 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 18.205 Rfree (%) 24.922 Sodium Binding Sites: Sodium binding site 1 out of 2 in 2wuw Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Sodium in the PDB 2wuw. 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: E: Ala37, E: Ser38, E: His39, E: Pro40, E: Asp41, E: Leu42, E: Asn43, E: Hoh2006, E: Hoh2017, E: Hoh2021, conact list: Atom Atom Distance (A) Na O E:Ala37 2.54 Na C E:Ala37 3.66 Na CA E:Ala37 4.83 Na O E:Ser38 3.64 Na N E:Ser38 4.25 Na C E:Ser38 3.49 Na CA E:Ser38 3.91 Na O E:His39 2.36 Na N E:His39 3.69 Na CB E:His39 4.80 Na C E:His39 3.35 Na CA E:His39 4.14 Na O E:Pro40 4.80 Na N E:Pro40 4.26 Na C E:Pro40 4.57 Na CA E:Pro40 4.40 Na N E:Asp41 4.97 Na O E:Leu42 2.42 Na N E:Leu42 4.21 Na CB E:Leu42 4.75 Na C E:Leu42 3.61 Na CA E:Leu42 4.41 Na N E:Asn43 4.58 Na CA E:Asn43 4.69 Na O E:Hoh2006 3.18 Na O E:Hoh2017 2.30 Na O E:Hoh2021 3.57 interactive model: Sodium binding site 2 out of 2 in 2wuw Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Sodium in the PDB 2wuw. 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: E: Pro168, E: Ala169, E: Lys170, E: Tyr171, E: Asp172, E: Ser173, E: Val174, E: Ile175, E: Ala176, E: Glu195, E: Glu197, E: Arg247, E: Hoh2077, E: Hoh2081, conact list: Atom Atom Distance (A) Na O E:Pro168 4.98 Na O E:Ala169 2.46 Na C E:Ala169 3.66 Na CA E:Ala169 4.63 Na O E:Lys170 4.00 Na N E:Lys170 4.49 Na C E:Lys170 3.89 Na CA E:Lys170 4.38 Na O E:Tyr171 2.43 Na N E:Tyr171 4.03 Na C E:Tyr171 3.34 Na CA E:Tyr171 4.27 Na O E:Asp172 4.46 Na N E:Asp172 4.10 Na C E:Asp172 4.26 Na CA E:Asp172 4.14 Na N E:Ser173 4.72 Na O E:Val174 2.24 Na N E:Val174 3.96 Na CB E:Val174 4.27 Na C E:Val174 3.37 Na CG1 E:Val174 4.99 Na CA E:Val174 4.10 Na N E:Ile175 4.38 Na C E:Ile175 4.56 Na CA E:Ile175 4.55 Na N E:Ala176 4.03 Na CB E:Ala176 4.29 Na CA E:Ala176 4.75 Na O E:Glu195 4.44 Na CB E:Glu195 4.80 Na OE2 E:Glu197 4.47 Na NH2 E:Arg247 4.33 Na O E:Hoh2077 2.20 Na O E:Hoh2081 2.48 interactive model: