UniProt Q389T8
Trypanothione reductase (Q389T8)
Trypanothione reductase (UniProt Q389T8), EC 1.8.1.12: 29 experimental structures on GenesisL1, 9 ligands bound, 44 pockets. Binding sites, pockets, druggability and 3D structures in GL1X.
- UniProt
- Q389T8
- Protein
- Trypanothione reductase
- EC
- 1.8.1.12
- Experimental structures
- 29
- Predicted models
- 0
- Ligands
- 9
- Pockets
- 44 · 6 records with a druggable one
Structures
29 records of Q389T8 in the MolNFT archive: 29 experimental, 0 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 2WOI | Trypanothione reductase from Trypanosoma brucei | x-ray diffraction | A, B, C, D | — | — |
| 2WOI | Trypanothione reductase from trypanosoma brucei | x-ray diffraction | A, B, C, D | — | — |
| 2WOV | Trypanosoma brucei trypanothione reductase with bound NADP. | x-ray diffraction | A, B, C, D | — | — |
| 2WOV | Trypanosoma brucei trypanothione reductase with bound NADP. | x-ray diffraction | A, B, C, D | — | — |
| 2WOW | Trypanosoma brucei trypanothione reductase with NADP and trypanothione bound | x-ray diffraction | A, B, C, D | — | — |
| 2WOW | Trypanosoma brucei trypanothione reductase with NADP and trypanothione bound | x-ray diffraction | A, B, C, D | — | — |
| 2WP5 | Trypanosoma brucei trypanothione reductase in complex with 3,4- dihydroquinazoline inhibitor… | x-ray diffraction | A, B, C, D | — | — |
| 2WP5 | Trypanosoma brucei trypanothione reductase in complex with 3,4-dihydroquinazoline inhibitor… | x-ray diffraction | A, B, C, D | — | — |
| 2WP6 | Trypanosoma brucei trypanothione reductase in complex with 3,4- dihydroquinazoline inhibitor… | x-ray diffraction | A, B, C, D | — | — |
| 2WP6 | Trypanosoma brucei trypanothione reductase in complex with 3,4-dihydroquinazoline inhibitor… | x-ray diffraction | A, B, C, D | — | — |
| 2WPC | Trypanosoma brucei trypanothione reductase in complex with 3,4- dihydroquinazoline inhibitor… | x-ray diffraction | A, B, C, D | — | — |
| 2WPC | Trypanosoma brucei trypanothione reductase in complex with 3,4-dihydroquinazoline inhibitor… | x-ray diffraction | A, B, C, D | — | — |
| 2WPE | Trypanosoma brucei trypanothione reductase in complex with 3,4- dihydroquinazoline inhibitor… | x-ray diffraction | A, B, C, D | — | — |
| 2WPE | Trypanosoma brucei trypanothione reductase in complex with 3,4-dihydroquinazoline inhibitor… | x-ray diffraction | A, B, C, D | — | — |
| 4NEV | Crystal structure of Trypanothione Reductase from Trypanosoma brucei in complex with inhibitor… | x-ray diffraction | A, B | — | — |
| 4NEV | Crystal structure of trypanothione reductase from trypanosoma brucei in complex with inhibitor… | x-ray diffraction | A, B | — | — |
| 6BTL | Crystal structure of Trypanothione Reductase from Trypanosoma brucei in complex with inhibitor… | x-ray diffraction | A, B | FAD, SO4, RD7 | 6 (best 0.84) |
| 6BTL | Crystal structure of trypanothione reductase from trypanosoma brucei in complex with inhibitor… | x-ray diffraction | A, B | FAD, SO4, RD7 | — |
| 6BU7 | Crystal structure of Trypanothione Reductase from Trypanosoma brucei in complex with inhibitor… | x-ray diffraction | A, B | FAD, SO4, RD0 | 6 (best 0.84) |
| 6BU7 | Crystal structure of trypanothione reductase from trypanosoma brucei in complex with inhibitor… | x-ray diffraction | A, B | FAD, SO4, RD0 | — |
| 6OEX | Crystal structure of Trypanothione Reductase from Trypanosoma brucei in complex with inhibitor… | x-ray diffraction | B, A | FAD, SO4, M9Y | — |
| 6OEX | Crystal structure of trypanothione reductase from trypanosoma brucei in complex with inhibitor… | x-ray diffraction | B, A | FAD, SO4, M9Y | — |
| 6OEY | Crystal structure of Trypanothione Reductase from Trypanosoma brucei in complex with inhibitor… | x-ray diffraction | B, A | FAD, SO4, M9S | 4 (best 0.85) |
| 6OEY | Crystal structure of trypanothione reductase from trypanosoma brucei in complex with inhibitor… | x-ray diffraction | B, A | FAD, SO4, M9S | — |
| 6OEZ | Crystal structure of Trypanothione Reductase from Trypanosoma brucei in complex with inhibitor… | x-ray diffraction | B, A | FAD, M9J | 7 (best 0.85) |
| 6OEZ | Crystal structure of trypanothione reductase from trypanosoma brucei in complex with inhibitor… | x-ray diffraction | B, A | FAD, M9J | — |
| 6RB5 | Trypanothione reductase in complex with 4-(((3-(8-(2-((1R,2S,5R)-6,6-dimethylbicyclo[3.1.1]heptan-2… | x-ray diffraction | A, B | FAD, SO4, JWZ | 9 (best 0.86) |
| 6RB5 | Trypanothione reductase in complex with 4-(((3-(8-(2-((1R,2S,5R)-6,6… | x-ray diffraction | A, B | FAD, SO4, JWZ | — |
| 7NVP | Trypanothione reductase from Trypanosoma brucei in complex with… | x-ray diffraction | AAA, BBB | FAD, UT2, SO4 | 12 (best 0.86) |
Ligands
- FAD · Flavin-adenine dinucleotide · in 13 records
- SO4 · Sulfate ion · in 11 records
- JWZ · 4-(((3-(8-(2-((1R,2S,5R)-6,6-dimethylbicyclo[3.1.1]heptan-2-yl)ethyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)propyl) (methyl)amino)methyl)-4-hydroxypiperidine-1-carboximidamide · in 2 records
- M9J · N-(cyclobutylmethyl)-3-{5-[1-(pyrrolidin-1-yl) cyclohexyl]-2-(1-{[(2S)-pyrrolidin-2-yl]methyl}-1H-indol-5-yl)-1,3-thiazol-4-yl}prop-2-yn-1-amine · in 2 records
- M9S · 5-{5-[1-(pyrrolidin-1-yl)cyclohexyl]-1,3-thiazol-2-yl}-1-{[(2S)-pyrrolidin-2-yl]methyl}-1H-indole · in 2 records
- 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 · in 2 records
- RD0 · 1-[2-(piperidin-4-yl)ethyl]-5-{5-[1-(pyrrolidin-1-yl) cyclohexyl]-1,3-thiazol-2-yl}-1H-indole · in 2 records
- RD7 · 1-[2-(piperazin-1-yl)ethyl]-5-{5-[1-(pyrrolidin-1-yl) cyclohexyl]-1,3-thiazol-2-yl}-1H-indole · in 2 records
- UT2 · N-{4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl}-5-nitrothiophene-2-carboxamide · in 1 record
Elsewhere
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