MolNFT v1 · #144458 · protein
Crystal structure of trypanothione reductase from trypanosoma brucei in complex with inhibitor RD130 1-[2-(piperidin-4-YL)ETHYL]-5-{5-[1- (pyrrolidin-1-YL)CYCLOHEXYL]-1,3-thiazol-2-yl}-1H-indole
6BU7: “Crystal structure of trypanothione reductase from trypanosoma brucei in complex with inhibitor RD130…”. X-ray diffraction, 3 ligands (FAD, RD0, SO4). MolNFT v1 #144458 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6BU7
- Type
- protein
- Length
- 984 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- UniProt
- Q389T8
- Ligands
- FAD, RD0, SO4
Structure
x-ray diffraction · 1 distinct chain.
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | — | protein | 492 | — | Q389T8 |
Ligands and binding sites
- FAD · Flavin-adenine dinucleotide · ligand · 2 copies · chains A, B
- RD0 · 1-[2-(piperidin-4-yl)ethyl]-5-{5-[1-(pyrrolidin-1-yl) cyclohexyl]-1,3-thiazol-2-yl}-1H-indole · ligand · 2 copies · chains A, B
- SO4 · Sulfate ion · ion · 5 copies · chains A, B
- GOL · Glycerol · additive · 4 copies · chains B, A
- EPE · 4-(2-hydroxyethyl)-1-piperazine ethanesulfonic acid · additive · 2 copies · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Compared structures
- 6BU7 · 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 6BU7 · PDBe 6BU7 · UniProt Q389T8
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