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Fluorine in PDB 2i78: Crystal Structure of Human Dipeptidyl Peptidase IV (Dpp IV) Complexed with Abt-341, A Cyclohexene-Constrained Phenethylamine Inhibitor
Enzymatic activity of Crystal Structure of Human Dipeptidyl Peptidase IV (Dpp IV) Complexed with Abt-341, A Cyclohexene-Constrained Phenethylamine Inhibitor
All present enzymatic activity of Crystal Structure of Human Dipeptidyl Peptidase IV (Dpp IV) Complexed with Abt-341, A Cyclohexene-Constrained Phenethylamine Inhibitor:
3.4.14.5;
3.4.14.5;
Protein crystallography data
The structure of Crystal Structure of Human Dipeptidyl Peptidase IV (Dpp IV) Complexed with Abt-341, A Cyclohexene-Constrained Phenethylamine Inhibitor, PDB code: 2i78
was solved by
K.L.Longenecker,
Z.Pei,
X.Li,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
| Resolution Low / High (Å) | 129.10 / 2.50 |
| Space group | P 1 21 1 |
| Cell size a, b, c (Å), α, β, γ (°) | 119.933, 126.419, 127.531, 90.00, 100.26, 90.00 |
| R / Rfree (%) | 21.6 / 27.5 |
Fluorine Binding Sites:
The binding sites of Fluorine atom in the Crystal Structure of Human Dipeptidyl Peptidase IV (Dpp IV) Complexed with Abt-341, A Cyclohexene-Constrained Phenethylamine Inhibitor
(pdb code 2i78). This binding sites where shown within
5.0 Angstroms radius around Fluorine atom.
In total 6 binding sites of Fluorine where determined in the Crystal Structure of Human Dipeptidyl Peptidase IV (Dpp IV) Complexed with Abt-341, A Cyclohexene-Constrained Phenethylamine Inhibitor, PDB code: 2i78:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6;
In total 6 binding sites of Fluorine where determined in the Crystal Structure of Human Dipeptidyl Peptidase IV (Dpp IV) Complexed with Abt-341, A Cyclohexene-Constrained Phenethylamine Inhibitor, PDB code: 2i78:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6;
Fluorine binding site 1 out of 6 in 2i78
Go back to
Fluorine Binding Sites List in 2i78
Fluorine binding site 1 out
of 6 in the Crystal Structure of Human Dipeptidyl Peptidase IV (Dpp IV) Complexed with Abt-341, A Cyclohexene-Constrained Phenethylamine Inhibitor
Mono view
Stereo pair view
Mono view
Stereo pair view
A full contact list of Fluorine with other atoms in the F binding
site number 1 of Crystal Structure of Human Dipeptidyl Peptidase IV (Dpp IV) Complexed with Abt-341, A Cyclohexene-Constrained Phenethylamine Inhibitor within 5.0Å range:
|
Fluorine binding site 2 out of 6 in 2i78
Go back to
Fluorine Binding Sites List in 2i78
Fluorine binding site 2 out
of 6 in the Crystal Structure of Human Dipeptidyl Peptidase IV (Dpp IV) Complexed with Abt-341, A Cyclohexene-Constrained Phenethylamine Inhibitor
Mono view
Stereo pair view
Mono view
Stereo pair view
A full contact list of Fluorine with other atoms in the F binding
site number 2 of Crystal Structure of Human Dipeptidyl Peptidase IV (Dpp IV) Complexed with Abt-341, A Cyclohexene-Constrained Phenethylamine Inhibitor within 5.0Å range:
|
Fluorine binding site 3 out of 6 in 2i78
Go back to
Fluorine Binding Sites List in 2i78
Fluorine binding site 3 out
of 6 in the Crystal Structure of Human Dipeptidyl Peptidase IV (Dpp IV) Complexed with Abt-341, A Cyclohexene-Constrained Phenethylamine Inhibitor
Mono view
Stereo pair view
Mono view
Stereo pair view
A full contact list of Fluorine with other atoms in the F binding
site number 3 of Crystal Structure of Human Dipeptidyl Peptidase IV (Dpp IV) Complexed with Abt-341, A Cyclohexene-Constrained Phenethylamine Inhibitor within 5.0Å range:
|
Fluorine binding site 4 out of 6 in 2i78
Go back to
Fluorine Binding Sites List in 2i78
Fluorine binding site 4 out
of 6 in the Crystal Structure of Human Dipeptidyl Peptidase IV (Dpp IV) Complexed with Abt-341, A Cyclohexene-Constrained Phenethylamine Inhibitor
Mono view
Stereo pair view
Mono view
Stereo pair view
A full contact list of Fluorine with other atoms in the F binding
site number 4 of Crystal Structure of Human Dipeptidyl Peptidase IV (Dpp IV) Complexed with Abt-341, A Cyclohexene-Constrained Phenethylamine Inhibitor within 5.0Å range:
|
Fluorine binding site 5 out of 6 in 2i78
Go back to
Fluorine Binding Sites List in 2i78
Fluorine binding site 5 out
of 6 in the Crystal Structure of Human Dipeptidyl Peptidase IV (Dpp IV) Complexed with Abt-341, A Cyclohexene-Constrained Phenethylamine Inhibitor
Mono view
Stereo pair view
Mono view
Stereo pair view
A full contact list of Fluorine with other atoms in the F binding
site number 5 of Crystal Structure of Human Dipeptidyl Peptidase IV (Dpp IV) Complexed with Abt-341, A Cyclohexene-Constrained Phenethylamine Inhibitor within 5.0Å range:
|
Fluorine binding site 6 out of 6 in 2i78
Go back to
Fluorine Binding Sites List in 2i78
Fluorine binding site 6 out
of 6 in the Crystal Structure of Human Dipeptidyl Peptidase IV (Dpp IV) Complexed with Abt-341, A Cyclohexene-Constrained Phenethylamine Inhibitor
Mono view
Stereo pair view
Mono view
Stereo pair view
A full contact list of Fluorine with other atoms in the F binding
site number 6 of Crystal Structure of Human Dipeptidyl Peptidase IV (Dpp IV) Complexed with Abt-341, A Cyclohexene-Constrained Phenethylamine Inhibitor within 5.0Å range:
|
Reference:
Z.Pei,
X.Li,
T.W.Vongeldern,
D.J.Madar,
K.L Longenecker,
H.Yong,
T.H.Lubben,
K.D.Stewart,
B.A.Zinker,
B.J.Backes,
A.S.Judd,
M.Mulhern,
S.J.Ballaron,
M.A.Stashko,
A.K.Mika,
D.W.A.Beno,
G.A.Reinhart,
R.M.Fryer,
L.C.Preusser,
A.J.Kempf-Grote,
H.L.Sham,
J.M.Trevillyan.
Discovery of Cyclohexene-Constrained Phenethylamine Abt-341, A Highly Potent, Selective, Orally Bioavailable, Safe and Potential Next-Generation Dipeptidyl Peptidase IV Inhibitor For the Treatment of Type 2 Diabetes To Be Published.
Page generated: Mon Jul 14 13:26:36 2025
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