Sodium in the structure of Crystal Structure of Cystathionine Gamma-Synthase Metb (Cgs) From Mycobacterium Ulcerans AGY99 Bound to Hepes (pdb 3qhx)

The binding sites of Sodium atom in the structure of Crystal Structure of Cystathionine Gamma-Synthase Metb (Cgs) From Mycobacterium Ulcerans AGY99 Bound to Hepes (pdb code 3qhx). This binding sites where shown with 5.0 Angstroms radius around Sodium atom. The 3qhx structure was solved by SEATTLE STRUCTURAL GENOMICS CENTER FOR INFECTIOUS DISEASE (SSGCID), with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 29.2-1.6 Space group P1211 a (A) 80.963 b (A) 106.326 c (A) 100.548 alpha (°) 90.00 beta (°) 113.72 gamma (°) 90.00 Rfactor (%) 14.8 Rfree (%) 18.1 Sodium Binding Sites: Sodium binding site 1 out of 1 in 3qhx Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Sodium in the PDB 3qhx. 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: Asp215, C: Val216, C: Val217, C: Asp247, D: Gly244, D: Pro245, C: Hoh2089, C: Hoh2090, C: Hoh2537, D: Hoh400, D: Hoh1898, D: Hoh2330, conact list: Atom Atom Distance (A) Na O C:Asp215 4.39 Na C C:Asp215 4.73 Na O C:Val216 4.93 Na N C:Val216 4.49 Na CB C:Val216 4.37 Na CG2 C:Val216 4.11 Na C C:Val216 3.72 Na CA C:Val216 3.54 Na O C:Val217 3.98 Na N C:Val217 2.94 Na CB C:Val217 3.80 Na CG2 C:Val217 4.05 Na C C:Val217 4.43 Na CA C:Val217 3.89 Na CB C:Asp247 4.86 Na OD2 C:Asp247 3.29 Na OD1 C:Asp247 3.76 Na CG C:Asp247 3.70 Na CA D:Gly244 4.22 Na N D:Pro245 4.71 Na CD D:Pro245 3.55 Na CG D:Pro245 4.54 Na O C:Hoh2089 3.01 Na O C:Hoh2090 4.38 Na O C:Hoh2537 2.50 Na O D:Hoh400 3.26 Na O D:Hoh1898 4.36 Na O D:Hoh2330 3.12 interactive model: