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Sodium in PDB 2qoe: Human Dipeptidyl Peptidase IV in Complex with A Triazolopiperazine- Based Beta Amino Acid Inhibitor

Enzymatic activity of Human Dipeptidyl Peptidase IV in Complex with A Triazolopiperazine- Based Beta Amino Acid Inhibitor

All present enzymatic activity of Human Dipeptidyl Peptidase IV in Complex with A Triazolopiperazine- Based Beta Amino Acid Inhibitor:
3.4.14.5;

Protein crystallography data

The structure of Human Dipeptidyl Peptidase IV in Complex with A Triazolopiperazine- Based Beta Amino Acid Inhibitor, PDB code: 2qoe 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 / 2.30
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 118.126, 125.296, 136.832, 90.00, 90.00, 90.00
R / Rfree (%) 17 / 21.2

Other elements in 2qoe:

The structure of Human Dipeptidyl Peptidase IV in Complex with A Triazolopiperazine- Based Beta Amino Acid Inhibitor also contains other interesting chemical elements:

Fluorine (F) 12 atoms

Sodium Binding Sites:

The binding sites of Sodium atom in the Human Dipeptidyl Peptidase IV in Complex with A Triazolopiperazine- Based Beta Amino Acid Inhibitor (pdb code 2qoe). 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 Dipeptidyl Peptidase IV in Complex with A Triazolopiperazine- Based Beta Amino Acid Inhibitor, PDB code: 2qoe:

Sodium binding site 1 out of 1 in 2qoe

Go back to Sodium Binding Sites List in 2qoe
Sodium binding site 1 out of 1 in the Human Dipeptidyl Peptidase IV in Complex with A Triazolopiperazine- Based Beta Amino Acid Inhibitor


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of Human Dipeptidyl Peptidase IV in Complex with A Triazolopiperazine- Based Beta Amino Acid Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Na1

b:30.1
occ:1.00
 O A:GLY490 2.5 23.0 1.0
O A:LEU491 2.5 21.6 1.0
O A:HOH1440 2.5 24.4 1.0
C A:LEU491 3.2 21.3 1.0
C A:GLY490 3.6 22.8 1.0
N A:ARG492 3.9 20.9 1.0
CA A:LEU491 3.9 21.4 1.0
CA A:ARG492 4.2 20.7 1.0
N A:LEU491 4.2 22.2 1.0
CA A:GLY490 4.7 23.0 1.0
O A:HOH1523 4.8 39.6 1.0

Reference:

J.E.Kowalchick, B.Leiting, K.D.Pryor, F.Marsilio, J.K.Wu, H.He, K.A.Lyons, G.J.Eiermann, A.Petrov, G.Scapin, R.A.Patel, N.A.Thornberry, A.E.Weber, D.Kim. Design, Synthesis, and Biological Evaluation of Triazolopiperazine-Based Beta-Amino Amides As Potent, Orally Active Dipeptidyl Peptidase IV (Dpp-4) Inhibitors. Bioorg.Med.Chem.Lett. V. 17 5934 2007.
ISSN: ISSN 0960-894X
PubMed: 17827003
DOI: 10.1016/J.BMCL.2007.07.100
Page generated: Mon Oct 7 04:03:08 2024

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