Research workbench
Trypanosoma cruzi trypanothione reductase (oxidized form)
Analyse Trypanosoma cruzi trypanothione reductase (oxidized form) in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1AOG
- Type
- protein
- Length
- 968 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Trypanothione reductase
- EC
- 1.6.4.8
- UniProt
- P28593
- Ligands
- FAD, MAE
- Pockets
- 4 · best druggability 0.85
Structure
x-ray diffraction · 2 distinct chains · 34% helix, 27% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Trypanothione reductase (EC 1.6.4.8) | protein | 485 | 34% helix, 27% strand | P28593 |
| B | Trypanothione reductase (EC 1.6.4.8) | protein | 483 | 34% helix, 27% strand | P28593 |
Ligands and binding sites
- FAD · Flavin-adenine dinucleotide · ligand · 2 copies · chains A, B
- MAE · Maleic acid · ligand · 2 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1136 | 0.85 | 0.86 | 119 | empty |
| 2 | 887 | 0.81 | 0.83 | 105 | FAD, MAE |
| 3 | 828 | 0.81 | 0.83 | 101 | FAD |
| 4 | 72 | 0.29 | 0.73 | 21 | empty |
Interfaces
1 interface between chains.
- A–B · 3275 Ų buried · 35 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 disulfide (disulfide).
Compared structures
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 P28593
- Elsewhere: RCSB PDB 1AOG · PDBe 1AOG · UniProt P28593
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