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Sodium in PDB 1x70: Human Dipeptidyl Peptidase IV in Complex with A Beta Amino Acid Inhibitor

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

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

Protein crystallography data

The structure of Human Dipeptidyl Peptidase IV in Complex with A Beta Amino Acid Inhibitor, PDB code: 1x70 was solved by D.Kim, L.Wang, M.Beconi, G.J.Eiermann, M.H.Fisher, H.He, G.J.Hickey, B.Leiting, K.Lyons, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 30.00 / 2.10
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 118.253, 125.680, 137.206, 90.00, 90.00, 90.00
R / Rfree (%) n/a / n/a

Other elements in 1x70:

The structure of Human Dipeptidyl Peptidase IV in Complex with A 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 Beta Amino Acid Inhibitor (pdb code 1x70). 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 Beta Amino Acid Inhibitor, PDB code: 1x70:

Sodium binding site 1 out of 1 in 1x70

Go back to Sodium Binding Sites List in 1x70
Sodium binding site 1 out of 1 in the Human Dipeptidyl Peptidase IV in Complex with A 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 Beta Amino Acid Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Na1200

b:26.9
occ:1.00
O A:GLY490 2.4 24.7 1.0
O A:LEU491 2.4 22.1 1.0
O A:HOH1671 2.4 21.4 1.0
C A:LEU491 3.0 22.2 1.0
C A:GLY490 3.5 23.5 1.0
N A:ARG492 3.8 21.4 1.0
CA A:LEU491 3.8 21.6 1.0
CA A:ARG492 4.0 22.3 1.0
N A:LEU491 4.0 21.7 1.0
CA A:GLY490 4.6 23.5 1.0
CB A:ARG492 4.8 23.8 1.0
O A:HOH1803 4.9 35.0 1.0
O A:HOH1594 5.0 18.0 1.0

Reference:

D.Kim, L.Wang, M.Beconi, G.J.Eiermann, M.H.Fisher, H.He, G.J.Hickey, J.E.Kowalchick, B.Leiting, K.Lyons, F.Marsilio, M.E.Mccann, R.A.Patel, A.Petrov, G.Scapin, S.B.Patel, R.S.Roy, J.K.Wu, M.J.Wyvratt, B.B.Zhang, L.Zhu, N.A.Thornberry, A.E.Weber. (2R)-4-Oxo-4-[3-(Trifluoromethyl)-5,6-Dihydro[1,2, 4]Triazolo[4,3-A]Pyrazin- 7(8H)-Yl]-1-(2,4,5-Trifluorophenyl)Butan-2-Amine: A Potent, Orally Active Dipeptidyl Peptidase IV Inhibitor For the Treatment of Type 2 Diabetes J.Med.Chem. V. 48 141 2005.
ISSN: ISSN 0022-2623
PubMed: 15634008
DOI: 10.1021/JM0493156
Page generated: Mon Oct 7 00:30:14 2024

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