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Sodium in PDB 5i7u: Human DPP4 in Complex with A Novel Tricyclic Hetero-Cycle Inhibitor

Enzymatic activity of Human DPP4 in Complex with A Novel Tricyclic Hetero-Cycle Inhibitor

All present enzymatic activity of Human DPP4 in Complex with A Novel Tricyclic Hetero-Cycle Inhibitor:
3.4.14.5;

Protein crystallography data

The structure of Human DPP4 in Complex with A Novel Tricyclic Hetero-Cycle Inhibitor, PDB code: 5i7u was solved by G.Scapin, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 93.22 / 1.95
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 118.553, 126.545, 137.854, 90.00, 90.00, 90.00
R / Rfree (%) 15.4 / 18.7

Other elements in 5i7u:

The structure of Human DPP4 in Complex with A Novel Tricyclic Hetero-Cycle Inhibitor also contains other interesting chemical elements:

Fluorine (F) 2 atoms

Sodium Binding Sites:

The binding sites of Sodium atom in the Human DPP4 in Complex with A Novel Tricyclic Hetero-Cycle Inhibitor (pdb code 5i7u). 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 A Novel Tricyclic Hetero-Cycle Inhibitor, PDB code: 5i7u:

Sodium binding site 1 out of 1 in 5i7u

Go back to Sodium Binding Sites List in 5i7u
Sodium binding site 1 out of 1 in the Human DPP4 in Complex with A Novel Tricyclic Hetero-Cycle Inhibitor


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 A Novel Tricyclic Hetero-Cycle Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Na813

b:21.5
occ:1.00
O A:GLY490 2.5 21.7 1.0
O A:LEU491 2.5 21.6 1.0
C A:LEU491 3.2 22.3 1.0
C A:GLY490 3.6 21.3 1.0
CA A:LEU491 3.9 16.7 1.0
N A:ARG492 3.9 18.9 1.0
CA A:ARG492 4.2 18.1 1.0
N A:LEU491 4.2 16.5 1.0
CA A:GLY490 4.8 17.4 1.0
O A:HOH1507 4.9 17.2 1.0

Reference:

W.L.Wu, J.Hao, M.Domalski, D.A.Burnett, D.Pissarnitski, Z.Zhao, A.Stamford, G.Scapin, Y.D.Gao, A.Soriano, T.M.Kelly, Z.Yao, M.A.Powles, S.Chen, H.Mei, J.Hwa. Discovery of Novel Tricyclic Heterocycles As Potent and Selective Dpp-4 Inhibitors For the Treatment of Type 2 Diabetes. Acs Med.Chem.Lett. V. 7 498 2016.
ISSN: ISSN 1948-5875
PubMed: 27190600
DOI: 10.1021/ACSMEDCHEMLETT.6B00027
Page generated: Mon Oct 7 21:32:41 2024

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