Sodium in the structure of Thrombin Inhibition (pdb 2zgx)

The binding sites of Sodium atom in the structure of Thrombin Inhibition (pdb code 2zgx). This binding sites where shown with 5.0 Angstroms radius around Sodium atom. The 2zgx structure was solved by B.BAUM, A.HEINE, G.KLEBE, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 10.0-1.8 Space group C121 a (A) 70.420 b (A) 71.450 c (A) 72.460 alpha (°) 90.00 beta (°) 100.70 gamma (°) 90.00 Rfactor (%) 18.4 Rfree (%) 24.9 Sodium Binding Sites: Sodium binding site 1 out of 2 in 2zgx Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Sodium in the PDB 2zgx. 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: H: Tyr184A, H: Asp221, H: Arg221A, H: Asp222, H: Gly223, H: Lys224, H: Tyr225, H: Hoh2018, H: Hoh2029, H: Hoh2030, H: Hoh2034, H: Hoh2044, H: Hoh2065, H: Hoh2093, H: Hoh2109, conact list: Atom Atom Distance (A) Na O H:Tyr184A 4.16 Na O H:Asp221 4.71 Na C H:Asp221 4.14 Na OD1 H:Asp221 4.72 Na CA H:Asp221 4.39 Na O H:Arg221A 2.34 Na N H:Arg221A 3.90 Na C H:Arg221A 3.34 Na CA H:Arg221A 4.25 Na N H:Asp222 4.13 Na C H:Asp222 4.39 Na CA H:Asp222 4.19 Na N H:Gly223 4.32 Na C H:Gly223 4.78 Na O H:Lys224 2.32 Na N H:Lys224 3.80 Na CB H:Lys224 4.61 Na C H:Lys224 3.39 Na CA H:Lys224 4.11 Na N H:Tyr225 4.45 Na CA H:Tyr225 4.75 Na O H:Hoh2018 4.25 Na O H:Hoh2029 2.27 Na O H:Hoh2030 3.90 Na O H:Hoh2034 3.89 Na O H:Hoh2044 2.38 Na O H:Hoh2065 2.63 Na O H:Hoh2093 2.58 Na O H:Hoh2109 4.73 interactive model: Sodium binding site 2 out of 2 in 2zgx Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Sodium in the PDB 2zgx. 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: H: Lys169, H: Asp170, H: Ser171, H: Thr172, H: Arg173, H: Hoh2035, H: Hoh2049, H: Hoh2078, H: Hoh2149, conact list: Atom Atom Distance (A) Na O H:Lys169 2.41 Na CB H:Lys169 4.90 Na C H:Lys169 3.47 Na CA H:Lys169 4.52 Na O H:Asp170 4.74 Na N H:Asp170 4.17 Na C H:Asp170 4.36 Na OD1 H:Asp170 4.57 Na CA H:Asp170 4.00 Na N H:Ser171 4.82 Na O H:Thr172 2.37 Na N H:Thr172 4.31 Na CG2 H:Thr172 4.78 Na C H:Thr172 3.58 Na CA H:Thr172 4.54 Na N H:Arg173 4.45 Na C H:Arg173 4.94 Na CA H:Arg173 4.42 Na O H:Hoh2035 2.85 Na O H:Hoh2049 2.36 Na O H:Hoh2078 2.41 Na O H:Hoh2149 4.51 interactive model: