Sodium in the structure of Crystal Structure of the T. Thermophilus Dodecin R65A Mutant (pdb 2ux9)

The binding sites of Sodium atom in the structure of Crystal Structure of the T. Thermophilus Dodecin R65A Mutant (pdb code 2ux9). This binding sites where shown with 5.0 Angstroms radius around Sodium atom. The 2ux9 structure was solved by B.MEISSNER, L.-O.ESSEN, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 14.9-1.4 Space group P3121 a (A) 67.585 b (A) 67.585 c (A) 169.188 alpha (°) 90.00 beta (°) 90.00 gamma (°) 120.00 Rfactor (%) 17 Rfree (%) 19.3 Sodium Binding Sites: Sodium binding site 1 out of 4 in 2ux9 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Sodium in the PDB 2ux9. 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: Lys3, A: His35, A: Asp37, A: Ala65, A: Fmn1069, A: Hoh2062, conact list: Atom Atom Distance (A) Na NZ A:Lys3 4.11 Na CB A:His35 4.13 Na ND1 A:His35 3.96 Na CE1 A:His35 4.90 Na CG A:His35 4.33 Na CA A:His35 4.86 Na OD2 A:Asp37 4.38 Na OD1 A:Asp37 4.44 Na CG A:Asp37 4.87 Na CB A:Ala65 3.95 Na O1P A:Fmn1069 2.34 Na O5' A:Fmn1069 4.69 Na O2P A:Fmn1069 3.88 Na P A:Fmn1069 3.33 Na O3P A:Fmn1069 3.42 Na O A:Hoh2062 2.34 interactive model: Sodium binding site 2 out of 4 in 2ux9 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Sodium in the PDB 2ux9. 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: C: Thr13, C: Ser14, C: Glu15, C: Glu55, C: Hoh2005, C: Hoh2013, C: Hoh2015, C: Hoh2062, C: Hoh2063, conact list: Atom Atom Distance (A) Na CB C:Thr13 4.87 Na OG1 C:Thr13 3.84 Na CA C:Ser14 4.92 Na N C:Glu15 4.91 Na CG C:Glu15 4.54 Na OE1 C:Glu55 3.00 Na OE2 C:Glu55 2.29 Na CD C:Glu55 2.92 Na CG C:Glu55 4.24 Na O C:Hoh2005 3.47 Na O C:Hoh2013 3.26 Na O C:Hoh2015 3.89 Na O C:Hoh2062 1.86 Na O C:Hoh2063 1.71 interactive model: Sodium binding site 3 out of 4 in 2ux9 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 3 of Sodium in the PDB 2ux9. 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: C: Lys3, C: His35, C: Asp37, C: Ala65, C: Fmn1073, C: Hoh2044, C: Hoh2077, C: Hoh2079, conact list: Atom Atom Distance (A) Na NZ C:Lys3 4.18 Na O C:His35 4.85 Na CB C:His35 4.20 Na ND1 C:His35 3.80 Na CE1 C:His35 4.80 Na CG C:His35 4.39 Na CA C:His35 4.76 Na OD2 C:Asp37 3.89 Na OD1 C:Asp37 3.63 Na CG C:Asp37 4.20 Na CB C:Ala65 4.33 Na O1P C:Fmn1073 2.14 Na O5' C:Fmn1073 4.25 Na O2P C:Fmn1073 4.03 Na P C:Fmn1073 3.06 Na O3P C:Fmn1073 2.96 Na O C:Hoh2044 2.32 Na O C:Hoh2077 2.94 Na O C:Hoh2079 2.40 interactive model: Sodium binding site 4 out of 4 in 2ux9 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 4 of Sodium in the PDB 2ux9. 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: F: Lys3, F: His35, F: Asp37, F: Ala65, E: Fmn1070, F: Hoh2007, F: Hoh2048, F: Hoh2050, F: Hoh2072, conact list: Atom Atom Distance (A) Na NZ F:Lys3 4.11 Na CB F:His35 4.10 Na ND1 F:His35 4.02 Na CG F:His35 4.40 Na CA F:His35 4.83 Na OD2 F:Asp37 4.20 Na OD1 F:Asp37 4.14 Na CG F:Asp37 4.62 Na CB F:Ala65 4.10 Na O1P E:Fmn1070 2.21 Na O5' E:Fmn1070 4.53 Na O2P E:Fmn1070 3.89 Na P E:Fmn1070 3.20 Na O3P E:Fmn1070 3.24 Na O F:Hoh2007 2.22 Na O F:Hoh2048 4.37 Na O F:Hoh2050 2.12 Na O F:Hoh2072 4.60 interactive model: