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Sodium in PDB 2iit: Human Dipeptidyl Peptidase 4 in Complex with A Diazepan-2-One Inhibitor

Enzymatic activity of Human Dipeptidyl Peptidase 4 in Complex with A Diazepan-2-One Inhibitor

All present enzymatic activity of Human Dipeptidyl Peptidase 4 in Complex with A Diazepan-2-One Inhibitor:
3.4.14.5;

Protein crystallography data

The structure of Human Dipeptidyl Peptidase 4 in Complex with A Diazepan-2-One Inhibitor, PDB code: 2iit was solved by G.Scapin, T.Biftu, A.E.Weber, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 30.00 / 2.35
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 118.224, 125.197, 136.870, 90.00, 90.00, 90.00
R / Rfree (%) n/a / n/a

Other elements in 2iit:

The structure of Human Dipeptidyl Peptidase 4 in Complex with A Diazepan-2-One 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 4 in Complex with A Diazepan-2-One Inhibitor (pdb code 2iit). 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 4 in Complex with A Diazepan-2-One Inhibitor, PDB code: 2iit:

Sodium binding site 1 out of 1 in 2iit

Go back to Sodium Binding Sites List in 2iit
Sodium binding site 1 out of 1 in the Human Dipeptidyl Peptidase 4 in Complex with A Diazepan-2-One 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 4 in Complex with A Diazepan-2-One Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Na9111

b:37.5
occ:1.00
O A:LEU491 2.2 25.2 1.0
O A:GLY490 2.4 28.2 1.0
C A:LEU491 2.9 25.2 1.0
C A:GLY490 3.4 26.8 1.0
CA A:LEU491 3.6 25.1 1.0
N A:ARG492 3.8 25.6 1.0
N A:LEU491 3.9 25.6 1.0
CA A:ARG492 4.1 25.1 1.0
CA A:GLY490 4.6 26.7 1.0
CB A:ARG492 4.9 26.1 1.0

Reference:

T.Biftu, D.Feng, X.Qian, G.B.Liang, G.Kieczykowski, G.Eiermann, H.He, B.Leiting, K.Lyons, A.Petrov, R.Sinha-Roy, B.Zhang, G.Scapin, S.Patel, Y.D.Gao, S.Singh, J.Wu, X.Zhang, N.A.Thornberry, A.E.Weber. (3R)-4-[(3R)-3-Amino-4-(2,4,5-Trifluorophenyl) Butanoyl]-3-(2,2,2-Trifluoroethyl)-1,4-Diazepan-2-One, A Selective Dipeptidyl Peptidase IV Inhibitor For the Treatment of Type 2 Diabetes Bioorg.Med.Chem.Lett. V. 17 49 2007.
ISSN: ISSN 0960-894X
PubMed: 17055272
DOI: 10.1016/J.BMCL.2006.09.099
Page generated: Mon Oct 7 02:53:04 2024

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