Sodium in the structure of Human Dipeptidyl Peptidase IV in Complex With A Triazolopiperazine- Based Beta Amino Acid Inhibitor (pdb 2qoe)

The binding sites of Sodium atom in the structure of Human Dipeptidyl Peptidase IV in Complex With A Triazolopiperazine- Based Beta Amino Acid Inhibitor (pdb code 2qoe). This binding sites where shown with 5.0 Angstroms radius around Sodium atom. The 2qoe structure was solved by G.SCAPIN, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 30.0-2.3 Space group P212121 a (A) 118.126 b (A) 125.296 c (A) 136.832 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 17 Rfree (%) 21.2 Sodium Binding Sites: Sodium binding site 1 out of 1 in 2qoe Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Sodium in the PDB 2qoe. 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: Gly490, A: Leu491, A: Arg492, A: Hoh1440, A: Hoh1523, conact list: Atom Atom Distance (A) Na O A:Gly490 2.49 Na C A:Gly490 3.60 Na CA A:Gly490 4.74 Na O A:Leu491 2.50 Na N A:Leu491 4.20 Na C A:Leu491 3.21 Na CA A:Leu491 3.95 Na N A:Arg492 3.94 Na CA A:Arg492 4.19 Na O A:Hoh1440 2.53 Na O A:Hoh1523 4.78 interactive model: