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Sodium in PDB 3c45: Human Dipeptidyl Peptidase IV/CD26 in Complex with A Fluoroolefin Inhibitor

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

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

Protein crystallography data

The structure of Human Dipeptidyl Peptidase IV/CD26 in Complex with A Fluoroolefin Inhibitor, PDB code: 3c45 was solved by G.Scapin, S.D.Edmondson, A.E.Weber, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 30.00 / 2.05
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 117.888, 125.909, 136.750, 90.00, 90.00, 90.00
R / Rfree (%) n/a / n/a

Other elements in 3c45:

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

Fluorine (F) 2 atoms
Chlorine (Cl) 2 atoms

Sodium Binding Sites:

The binding sites of Sodium atom in the Human Dipeptidyl Peptidase IV/CD26 in Complex with A Fluoroolefin Inhibitor (pdb code 3c45). 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 Fluoroolefin Inhibitor, PDB code: 3c45:

Sodium binding site 1 out of 1 in 3c45

Go back to Sodium Binding Sites List in 3c45
Sodium binding site 1 out of 1 in the Human Dipeptidyl Peptidase IV/CD26 in Complex with A Fluoroolefin 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 Fluoroolefin Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Na1

b:31.8
occ:1.00
O A:GLY490 2.4 26.7 1.0
O A:LEU491 2.5 22.8 1.0
C A:LEU491 3.2 23.5 1.0
C A:GLY490 3.5 25.2 1.0
CA A:LEU491 3.8 23.2 1.0
N A:ARG492 3.9 23.2 1.0
N A:LEU491 4.1 23.7 1.0
CA A:ARG492 4.2 22.3 1.0
CA A:GLY490 4.6 25.4 1.0

Reference:

S.D.Edmondson, L.Wei, J.Xu, J.Shang, S.Xu, J.Pang, A.Chaudhary, D.C.Dean, H.He, B.Leiting, K.A.Lyons, R.A.Patel, S.B.Patel, G.Scapin, J.K.Wu, M.G.Beconi, N.A.Thornberry, A.E.Weber. Fluoroolefins As Amide Bond Mimics in Dipeptidyl Peptidase IV Inhibitors Bioorg.Med.Chem.Lett. V. 18 2409 2008.
ISSN: ISSN 0960-894X
PubMed: 18331795
DOI: 10.1016/J.BMCL.2008.02.050
Page generated: Tue Dec 15 06:03:59 2020

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