|
Atomistry » Fluorine » PDB 6oac-6onm » 6oex | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Atomistry » Fluorine » PDB 6oac-6onm » 6oex » |
Fluorine in PDB 6oex: Crystal Structure of Trypanothione Reductase From Trypanosoma Brucei in Complex with Inhibitor 3-(2-{1-[2-(Piperidin-4-Yl)Ethyl]-1H-Indol- 5-Yl}-5-[1-(Pyrrolidin-1-Yl)Cyclohexyl]-1,3- Thiazol-4-Yl)-N-(2,2,2- Trifluoroethyl)Prop-2-Yn-1-AmineEnzymatic activity of Crystal Structure of Trypanothione Reductase From Trypanosoma Brucei in Complex with Inhibitor 3-(2-{1-[2-(Piperidin-4-Yl)Ethyl]-1H-Indol- 5-Yl}-5-[1-(Pyrrolidin-1-Yl)Cyclohexyl]-1,3- Thiazol-4-Yl)-N-(2,2,2- Trifluoroethyl)Prop-2-Yn-1-Amine
All present enzymatic activity of Crystal Structure of Trypanothione Reductase From Trypanosoma Brucei in Complex with Inhibitor 3-(2-{1-[2-(Piperidin-4-Yl)Ethyl]-1H-Indol- 5-Yl}-5-[1-(Pyrrolidin-1-Yl)Cyclohexyl]-1,3- Thiazol-4-Yl)-N-(2,2,2- Trifluoroethyl)Prop-2-Yn-1-Amine:
1.8.1.12; Protein crystallography data
The structure of Crystal Structure of Trypanothione Reductase From Trypanosoma Brucei in Complex with Inhibitor 3-(2-{1-[2-(Piperidin-4-Yl)Ethyl]-1H-Indol- 5-Yl}-5-[1-(Pyrrolidin-1-Yl)Cyclohexyl]-1,3- Thiazol-4-Yl)-N-(2,2,2- Trifluoroethyl)Prop-2-Yn-1-Amine, PDB code: 6oex
was solved by
O.Halgas,
R.De Gasparo,
D.Harangozo,
R.L.Krauth-Siegel,
F.Diederich,
E.F.Pai,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Fluorine Binding Sites:
The binding sites of Fluorine atom in the Crystal Structure of Trypanothione Reductase From Trypanosoma Brucei in Complex with Inhibitor 3-(2-{1-[2-(Piperidin-4-Yl)Ethyl]-1H-Indol- 5-Yl}-5-[1-(Pyrrolidin-1-Yl)Cyclohexyl]-1,3- Thiazol-4-Yl)-N-(2,2,2- Trifluoroethyl)Prop-2-Yn-1-Amine
(pdb code 6oex). 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 Trypanothione Reductase From Trypanosoma Brucei in Complex with Inhibitor 3-(2-{1-[2-(Piperidin-4-Yl)Ethyl]-1H-Indol- 5-Yl}-5-[1-(Pyrrolidin-1-Yl)Cyclohexyl]-1,3- Thiazol-4-Yl)-N-(2,2,2- Trifluoroethyl)Prop-2-Yn-1-Amine, PDB code: 6oex: Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6; Fluorine binding site 1 out of 6 in 6oexGo back to Fluorine Binding Sites List in 6oex
Fluorine binding site 1 out
of 6 in the Crystal Structure of Trypanothione Reductase From Trypanosoma Brucei in Complex with Inhibitor 3-(2-{1-[2-(Piperidin-4-Yl)Ethyl]-1H-Indol- 5-Yl}-5-[1-(Pyrrolidin-1-Yl)Cyclohexyl]-1,3- Thiazol-4-Yl)-N-(2,2,2- Trifluoroethyl)Prop-2-Yn-1-Amine
Mono view Stereo pair view
Fluorine binding site 2 out of 6 in 6oexGo back to Fluorine Binding Sites List in 6oex
Fluorine binding site 2 out
of 6 in the Crystal Structure of Trypanothione Reductase From Trypanosoma Brucei in Complex with Inhibitor 3-(2-{1-[2-(Piperidin-4-Yl)Ethyl]-1H-Indol- 5-Yl}-5-[1-(Pyrrolidin-1-Yl)Cyclohexyl]-1,3- Thiazol-4-Yl)-N-(2,2,2- Trifluoroethyl)Prop-2-Yn-1-Amine
Mono view Stereo pair view
Fluorine binding site 3 out of 6 in 6oexGo back to Fluorine Binding Sites List in 6oex
Fluorine binding site 3 out
of 6 in the Crystal Structure of Trypanothione Reductase From Trypanosoma Brucei in Complex with Inhibitor 3-(2-{1-[2-(Piperidin-4-Yl)Ethyl]-1H-Indol- 5-Yl}-5-[1-(Pyrrolidin-1-Yl)Cyclohexyl]-1,3- Thiazol-4-Yl)-N-(2,2,2- Trifluoroethyl)Prop-2-Yn-1-Amine
Mono view Stereo pair view
Fluorine binding site 4 out of 6 in 6oexGo back to Fluorine Binding Sites List in 6oex
Fluorine binding site 4 out
of 6 in the Crystal Structure of Trypanothione Reductase From Trypanosoma Brucei in Complex with Inhibitor 3-(2-{1-[2-(Piperidin-4-Yl)Ethyl]-1H-Indol- 5-Yl}-5-[1-(Pyrrolidin-1-Yl)Cyclohexyl]-1,3- Thiazol-4-Yl)-N-(2,2,2- Trifluoroethyl)Prop-2-Yn-1-Amine
Mono view Stereo pair view
Fluorine binding site 5 out of 6 in 6oexGo back to Fluorine Binding Sites List in 6oex
Fluorine binding site 5 out
of 6 in the Crystal Structure of Trypanothione Reductase From Trypanosoma Brucei in Complex with Inhibitor 3-(2-{1-[2-(Piperidin-4-Yl)Ethyl]-1H-Indol- 5-Yl}-5-[1-(Pyrrolidin-1-Yl)Cyclohexyl]-1,3- Thiazol-4-Yl)-N-(2,2,2- Trifluoroethyl)Prop-2-Yn-1-Amine
Mono view Stereo pair view
Fluorine binding site 6 out of 6 in 6oexGo back to Fluorine Binding Sites List in 6oex
Fluorine binding site 6 out
of 6 in the Crystal Structure of Trypanothione Reductase From Trypanosoma Brucei in Complex with Inhibitor 3-(2-{1-[2-(Piperidin-4-Yl)Ethyl]-1H-Indol- 5-Yl}-5-[1-(Pyrrolidin-1-Yl)Cyclohexyl]-1,3- Thiazol-4-Yl)-N-(2,2,2- Trifluoroethyl)Prop-2-Yn-1-Amine
Mono view Stereo pair view
Reference:
R.De Gasparo,
O.Halgas,
D.Harangozo,
M.Kaiser,
E.F.Pai,
R.L.Krauth-Siegel,
F.Diederich.
Targeting A Large Active Site: Structure-Based Design of Nanomolar Inhibitors of Trypanosoma Brucei Trypanothione Reductase. Chemistry V. 25 11416 2019.
Page generated: Thu Aug 1 23:35:24 2024
ISSN: ISSN 0947-6539 PubMed: 31407832 DOI: 10.1002/CHEM.201901664 |
Last articlesZn in 9JYWZn in 9IR4 Zn in 9IR3 Zn in 9GMX Zn in 9GMW Zn in 9JEJ Zn in 9ERF Zn in 9ERE Zn in 9EGV Zn in 9EGW |
© Copyright 2008-2020 by atomistry.com | ||
Home | Site Map | Copyright | Contact us | Privacy |