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-amine

PDB ID: 6OEXDownload
MMDB ID: 178023
PDB Deposition Date: 2019/3/28
Updated in MMDB: 2023/10
Experimental Method:
x-ray diffraction
Resolution: 2.1  Å
Source Organism:
Similar Structures:
Biological Unit for 6OEX: dimeric; determined by author and by software (PISA)
Molecular Components in 6OEX
Label Count Molecule
Proteins (2 molecules)
2
Trypanothione Reductase
(Gene symbol: Tb10.406.0520)
Molecule annotation
Chemicals and Non-standard biopolymers (8 molecules)
1
2
FLAVIN-ADENINE DINUCLEOTIDEFLAVIN-ADENINE DINUCLEOTIDE
2
2
4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID
3
2
SULFATE IONSULFATE ION
4
2
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-amine3-(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
* Click molecule labels to explore molecular sequence information.
Citing MMDB
Madej T, Lanczycki CJ, Zhang D, Thiessen PA, Geer RC, Marchler-Bauer A, Bryant SH. " MMDB and VAST+: tracking structural similarities between macromolecular complexes. Nucleic Acids Res. 2014 Jan; 42(Database issue):D297-303