Sodium in the structure of Mopii From Clostridium Pasteurianum Complexed With Tungstate (pdb 1gug)

The binding sites of Sodium atom in the structure of Mopii From Clostridium Pasteurianum Complexed With Tungstate (pdb code 1gug). This binding sites where shown with 5.0 Angstroms radius around Sodium atom. The 1gug structure was solved by A.W.SCHUETTELKOPF, J.A.HARRISON, W.N.HUNTER, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 19.6-1.6 Space group C121 a (A) 56.373 b (A) 78.514 c (A) 94.839 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 15.4 Rfree (%) 18.3 Sodium Binding Sites: Sodium binding site 1 out of 2 in 1gug Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Sodium in the PDB 1gug. 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: Asp63, C: Asp63, E: Asp63, F: Asp63, F: Na1070, B: Hoh2039, B: Hoh2041, C: Hoh2039, D: Hoh2042, F: Hoh2032, F: Hoh2034, conact list: Atom Atom Distance (A) Na CB B:Asp63 4.46 Na OD2 B:Asp63 4.20 Na OD1 B:Asp63 2.88 Na CG B:Asp63 3.66 Na CA B:Asp63 4.89 Na CB C:Asp63 4.71 Na OD2 C:Asp63 2.44 Na OD1 C:Asp63 3.31 Na CG C:Asp63 3.28 Na CB E:Asp63 4.44 Na OD2 E:Asp63 4.19 Na OD1 E:Asp63 2.85 Na CG E:Asp63 3.64 Na CA E:Asp63 4.86 Na CB F:Asp63 4.69 Na OD2 F:Asp63 2.42 Na OD1 F:Asp63 3.28 Na CG F:Asp63 3.25 Na NA F:Na1070 0.05 Na O B:Hoh2039 4.17 Na O B:Hoh2041 4.24 Na O C:Hoh2039 3.98 Na O D:Hoh2042 2.45 Na O F:Hoh2032 3.93 Na O F:Hoh2034 2.78 interactive model: Sodium binding site 2 out of 2 in 1gug Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Sodium in the PDB 1gug. 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: Asp63, C: Asp63, E: Asp63, F: Asp63, C: Na1070, B: Hoh2039, B: Hoh2041, C: Hoh2039, D: Hoh2042, F: Hoh2032, F: Hoh2034, conact list: Atom Atom Distance (A) Na CB B:Asp63 4.44 Na OD2 B:Asp63 4.19 Na OD1 B:Asp63 2.85 Na CG B:Asp63 3.64 Na CA B:Asp63 4.86 Na CB C:Asp63 4.69 Na OD2 C:Asp63 2.42 Na OD1 C:Asp63 3.28 Na CG C:Asp63 3.25 Na CB E:Asp63 4.46 Na OD2 E:Asp63 4.20 Na OD1 E:Asp63 2.88 Na CG E:Asp63 3.66 Na CA E:Asp63 4.89 Na CB F:Asp63 4.71 Na OD2 F:Asp63 2.44 Na OD1 F:Asp63 3.31 Na CG F:Asp63 3.28 Na NA C:Na1070 0.05 Na O B:Hoh2039 4.17 Na O B:Hoh2041 4.24 Na O C:Hoh2039 3.93 Na O D:Hoh2042 2.45 Na O F:Hoh2032 3.98 Na O F:Hoh2034 2.78 interactive model: