Sodium in PDB 6b1e: The Structure of DPP4 in Complex with Vildagliptin

All present enzymatic activity of The Structure of DPP4 in Complex with Vildagliptin:
3.4.14.5;

The structure of The Structure of DPP4 in Complex with Vildagliptin, PDB code: 6b1e 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 / 1.77
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	118.314, 125.751, 136.865, 90.00, 90.00, 90.00
R / Rfree (%)	16.1 / 18.6

The binding sites of Sodium atom in the The Structure of DPP4 in Complex with Vildagliptin (pdb code 6b1e). 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 Vildagliptin, PDB code: 6b1e:

Sodium binding site 1 out of 1 in the The Structure of DPP4 in Complex with Vildagliptin


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 Vildagliptin within 5.0Å range: probe atom residue distance (Å) B Occ A:Na811 b:20.7 occ:1.00 O A:GLY490 2.4 19.4 1.0 O A:LEU491 2.5 18.0 1.0 C A:LEU491 3.2 18.2 1.0 C A:GLY490 3.5 18.1 1.0 N A:ARG492 3.9 17.8 1.0 CA A:LEU491 3.9 17.5 1.0 N A:LEU491 4.1 17.1 1.0 CA A:ARG492 4.1 17.8 1.0 CA A:GLY490 4.7 17.7 1.0 O A:HOH1489 4.9 6.4 1.0

J.P.Berger, R.Sinharoy, A.Pocai, T.M.Kelly, G.Scapin, Y.D.Gao, K.A.D.Pryor, J.K.Wu, G.J.Eiermann, S.S.Xu, X.Zhang, D.A.Tatosian, A.E.Weber, N.A.Thornberry, R.D.Carr. A Comparative Study of the Binding Properties, Dipeptidyl Peptidase-4 (Dpp-4) Inhibitory Activity and Glucose-Lowering Efficacy of the Dpp-4 Inhibitors Alogliptin, Linagliptin, Saxagliptin, Sitagliptin and Vildagliptin in Mice. Endocrinol Diabetes Metab V. 1 00002 2018.
ISSN: ESSN 2398-9238
PubMed: 30815539
DOI: 10.1002/EDM2.2