Sodium in PDB 2hha: The Structure of DPP4 in Complex with An Oxadiazole Inhibitor

All present enzymatic activity of The Structure of DPP4 in Complex with An Oxadiazole Inhibitor:
3.4.14.5;

The structure of The Structure of DPP4 in Complex with An Oxadiazole Inhibitor, PDB code: 2hha was solved by G.Scapin, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 2.35
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	117.971, 125.584, 136.716, 90.00, 90.00, 90.00
R / Rfree (%)	18.5 / 23.3

The binding sites of Sodium atom in the The Structure of DPP4 in Complex with An Oxadiazole Inhibitor (pdb code 2hha). This binding sites where shown within 5.0 Angstroms radius around Sodium atom.
In total only one binding site of Sodium was determined in the The Structure of DPP4 in Complex with An Oxadiazole Inhibitor, PDB code: 2hha:

Sodium binding site 1 out of 1 in the The Structure of DPP4 in Complex with An Oxadiazole Inhibitor


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of The Structure of DPP4 in Complex with An Oxadiazole Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:Na3000 b:30.6 occ:1.00 O A:GLY490 2.4 23.4 1.0 O A:LEU491 2.6 21.0 1.0 C A:LEU491 3.2 21.5 1.0 C A:GLY490 3.5 22.5 1.0 CA A:LEU491 3.9 20.9 1.0 N A:ARG492 3.9 20.6 1.0 N A:LEU491 4.1 20.7 1.0 CA A:ARG492 4.2 20.7 1.0 CA A:GLY490 4.6 22.9 1.0

J.Xu, L.Wei, R.J.Mathvink, S.D.Edmondson, G.J.Eiermann, H.He, J.F.Leone, B.Leiting, K.A.Lyons, F.Marsilio, R.A.Patel, S.B.Patel, A.Petrov, G.Scapin, J.K.Wu, N.A.Thornberry, A.E.Weber. Discovery of Potent, Selective, and Orally Bioavailable Oxadiazole-Based Dipeptidyl Peptidase IV Inhibitors. Bioorg.Med.Chem.Lett. V. 16 5373 2006.
ISSN: ISSN 0960-894X
PubMed: 16919457
DOI: 10.1016/J.BMCL.2006.07.061