MolNFT v2 · #160226 · protein
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
6OEX: “Crystal structure of Trypanothione Reductase from Trypanosoma brucei in complex with inhibitor…”. X-ray diffraction at 2.1, 3 ligands (FAD, M9Y, SO4). MolNFT v2 #160226 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6OEX
- Type
- protein
- Length
- 972 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 2.1
- Source
- Trypanosoma brucei brucei (strain 927/4 GUTat10.1)
- UniProt
- Q389T8
- Ligands
- FAD, M9Y, SO4
Structure
x-ray diffraction · resolution 2.1 · 2 distinct chains.
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| B | — | protein | 487 | — | Q389T8 |
| A | — | protein | 485 | — | Q389T8 |
Ligands and binding sites
- FAD · Flavin-adenine dinucleotide · ligand · 2 copies · chains B, A
- M9Y · 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 · ligand · 2 copies · chains B, A
- SO4 · Sulfate ion · ion · 2 copies · chains B
- EPE · 4-(2-hydroxyethyl)-1-piperazine ethanesulfonic acid · additive · 2 copies · chains B, A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Compared structures
- 6OEX · Crystal structure of trypanothione reductase from trypanosoma brucei in complex with… · the same entry in another collection · chain A against A, TM-score 1.00
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Every structure of UniProt Q389T8
- Elsewhere: RCSB PDB 6OEX · PDBe 6OEX · UniProt Q389T8
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