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Sodium in PDB 2p8s: Human Dipeptidyl Peptidase IV/CD26 in Complex with A Cyclohexalamine Inhibitor

Enzymatic activity of Human Dipeptidyl Peptidase IV/CD26 in Complex with A Cyclohexalamine Inhibitor

All present enzymatic activity of Human Dipeptidyl Peptidase IV/CD26 in Complex with A Cyclohexalamine Inhibitor:
3.4.14.5;

Protein crystallography data

The structure of Human Dipeptidyl Peptidase IV/CD26 in Complex with A Cyclohexalamine Inhibitor, PDB code: 2p8s was solved by G.Scapin, T.Biftu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 30.00 / 2.20
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 118.139, 126.174, 137.340, 90.00, 90.00, 90.00
R / Rfree (%) n/a / n/a

Other elements in 2p8s:

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

Fluorine (F) 24 atoms

Sodium Binding Sites:

The binding sites of Sodium atom in the Human Dipeptidyl Peptidase IV/CD26 in Complex with A Cyclohexalamine Inhibitor (pdb code 2p8s). 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 Cyclohexalamine Inhibitor, PDB code: 2p8s:

Sodium binding site 1 out of 1 in 2p8s

Go back to Sodium Binding Sites List in 2p8s
Sodium binding site 1 out of 1 in the Human Dipeptidyl Peptidase IV/CD26 in Complex with A Cyclohexalamine 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 Cyclohexalamine Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Na9001

b:31.9
occ:1.00
O A:GLY490 2.4 24.0 1.0
O A:LEU491 2.6 23.0 1.0
C A:LEU491 3.2 22.7 1.0
C A:GLY490 3.5 23.1 1.0
CA A:LEU491 3.9 21.9 1.0
N A:ARG492 4.0 22.1 1.0
N A:LEU491 4.1 21.9 1.0
CA A:ARG492 4.3 22.7 1.0
CA A:GLY490 4.6 22.8 1.0

Reference:

T.Biftu, G.Scapin, S.Singh, D.Feng, J.W.Becker, G.Eiermann, H.He, K.Lyons, S.Patel, A.Petrov, R.Sinha-Roy, B.Zhang, J.Wu, X.Zhang, G.A.Doss, N.A.Thornberry, A.E.Weber. Rational Design of A Novel, Potent, and Orally Bioavailable Cyclohexylamine Dpp-4 Inhibitor By Application of Molecular Modeling and X-Ray Crystallography of Sitagliptin Bioorg.Med.Chem.Lett. V. 17 3384 2007.
ISSN: ISSN 0960-894X
PubMed: 17433672
DOI: 10.1016/J.BMCL.2007.03.095
Page generated: Tue Dec 15 05:53:48 2020

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