Sodium in the structure of Human Dipeptidyl Peptidase IV/CD26 in Complex With A 4-Aryl Cyclohexylalanine Inhibitor (pdb 2qt9)

The binding sites of Sodium atom in the structure of Human Dipeptidyl Peptidase IV/CD26 in Complex With A 4-Aryl Cyclohexylalanine Inhibitor (pdb code 2qt9). This binding sites where shown with 5.0 Angstroms radius around Sodium atom. The 2qt9 structure was solved by G.SCAPIN, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 30.0-2.1 Space group P212121 a (A) 117.697 b (A) 126.072 c (A) 136.970 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) n/a Rfree (%) n/a Sodium Binding Sites: Sodium binding site 1 out of 1 in 2qt9 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Sodium in the PDB 2qt9. 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: Hoh1563, conact list: Atom Atom Distance (A) Na O A:Gly490 2.43 Na C A:Gly490 3.55 Na CA A:Gly490 4.75 Na O A:Leu491 2.44 Na N A:Leu491 4.14 Na C A:Leu491 3.12 Na CA A:Leu491 3.85 Na N A:Arg492 3.86 Na CB A:Arg492 4.95 Na CA A:Arg492 4.08 Na O A:Hoh1563 5.00 interactive model: