Sodium in PDB 5t4e: Human DPP4 in Complex with Ligand 19A

All present enzymatic activity of Human DPP4 in Complex with Ligand 19A:
3.4.14.5;

The structure of Human DPP4 in Complex with Ligand 19A, PDB code: 5t4e was solved by G.Scapin, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	92.77 / 1.77
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	118.288, 125.897, 137.216, 90.00, 90.00, 90.00
R / Rfree (%)	15.4 / 18.2

The binding sites of Sodium atom in the Human DPP4 in Complex with Ligand 19A (pdb code 5t4e). 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 Human DPP4 in Complex with Ligand 19A, PDB code: 5t4e:

Sodium binding site 1 out of 1 in the Human DPP4 in Complex with Ligand 19A


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of Human DPP4 in Complex with Ligand 19A within 5.0Å range: probe atom residue distance (Å) B Occ A:Na811 b:21.8 occ:1.00 O A:GLY490 2.4 20.9 1.0 O A:LEU491 2.4 20.9 1.0 C A:LEU491 3.1 21.9 1.0 C A:GLY490 3.5 21.4 1.0 CA A:LEU491 3.9 17.4 1.0 N A:ARG492 3.9 17.7 1.0 N A:LEU491 4.1 16.7 1.0 CA A:ARG492 4.1 16.9 1.0 CA A:GLY490 4.7 16.8 1.0 O A:HOH1420 4.9 18.6 1.0

D.A.Pissarnitski, Z.Zhao, D.Cole, W.L.Wu, M.Domalski, J.W.Clader, G.Scapin, J.Voigt, A.Soriano, T.Kelly, M.A.Powles, Z.Yao, D.A.Burnett. Scaffold-Hopping From Xanthines to Tricyclic Guanines: A Case Study of Dipeptidyl Peptidase 4 (DPP4) Inhibitors. Bioorg.Med.Chem. V. 24 5534 2016.
ISSN: ESSN 1464-3391
PubMed: 27670099
DOI: 10.1016/J.BMC.2016.09.007