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Sodium in PDB 2qtb: Human Dipeptidyl Peptidase IV/CD26 in Complex with A 4-Aryl Cyclohexylalanine Inhibitor

Enzymatic activity of Human Dipeptidyl Peptidase IV/CD26 in Complex with A 4-Aryl Cyclohexylalanine Inhibitor

All present enzymatic activity of Human Dipeptidyl Peptidase IV/CD26 in Complex with A 4-Aryl Cyclohexylalanine Inhibitor:
3.4.14.5;

Protein crystallography data

The structure of Human Dipeptidyl Peptidase IV/CD26 in Complex with A 4-Aryl Cyclohexylalanine Inhibitor, PDB code: 2qtb 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 / 2.25
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 117.863, 125.629, 136.806, 90.00, 90.00, 90.00
R / Rfree (%) n/a / n/a

Other elements in 2qtb:

The structure of Human Dipeptidyl Peptidase IV/CD26 in Complex with A 4-Aryl Cyclohexylalanine Inhibitor also contains other interesting chemical elements:

Fluorine (F) 4 atoms

Sodium Binding Sites:

The binding sites of Sodium atom in the Human Dipeptidyl Peptidase IV/CD26 in Complex with A 4-Aryl Cyclohexylalanine Inhibitor (pdb code 2qtb). 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/CD26 in Complex with A 4-Aryl Cyclohexylalanine Inhibitor, PDB code: 2qtb:

Sodium binding site 1 out of 1 in 2qtb

Go back to Sodium Binding Sites List in 2qtb
Sodium binding site 1 out of 1 in the Human Dipeptidyl Peptidase IV/CD26 in Complex with A 4-Aryl Cyclohexylalanine 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/CD26 in Complex with A 4-Aryl Cyclohexylalanine Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Na1522

b:27.3
occ:1.00
 O A:GLY490 2.3 23.2 1.0
O A:LEU491 2.5 21.0 1.0
C A:LEU491 3.0 20.9 1.0
C A:GLY490 3.3 23.1 1.0
CA A:LEU491 3.7 21.0 1.0
N A:ARG492 3.8 20.1 1.0
N A:LEU491 3.9 21.9 1.0
CA A:ARG492 4.1 21.3 1.0
CA A:GLY490 4.5 23.2 1.0

Reference:

D.E.Kaelin, A.L.Smenton, G.J.Eiermann, H.He, B.Leiting, K.A.Lyons, R.A.Patel, S.B.Patel, A.Petrov, G.Scapin, J.K.Wu, N.A.Thornberry, A.E.Weber, J.L.Duffy. 4-Arylcyclohexylalanine Analogs As Potent, Selective, and Orally Active Inhibitors of Dipeptidyl Peptidase IV. Bioorg.Med.Chem.Lett. V. 17 5806 2007.
ISSN: ISSN 0960-894X
PubMed: 17851076
DOI: 10.1016/J.BMCL.2007.08.049
Page generated: Mon Oct 7 04:04:08 2024

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