MolNFT v1 · #53892 · protein
Oxidized thioredoxin glutathione reductase from schistosoma mansoni
2X8G: “Oxidized thioredoxin glutathione reductase from schistosoma mansoni”. X-ray diffraction, 1 ligand (FAD), 6 pockets (best druggability 0.80). MolNFT v1 #53892 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 2X8G
- Type
- protein
- Length
- 588 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Thioredoxin glutathione reductase
- EC
- 1.6.4.5
- UniProt
- Q962Y6
- Ligands
- FAD
- Pockets
- 6 · best druggability 0.80
Structure
x-ray diffraction · 1 distinct chain · 37% helix, 25% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Thioredoxin glutathione reductase (EC 1.6.4.5) | protein | 588 | 37% helix, 25% strand | Q962Y6 |
Ligands and binding sites
- FAD · Flavin-adenine dinucleotide · ligand · chains A
- PEG · Di(hydroxyethyl)ether · additive · 4 copies · chains A
- GOL · Glycerol · additive · 2 copies · chains A
- PG4 · Tetraethylene glycol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1062 | 0.80 | 0.82 | 114 | FAD |
| 2 | 201 | 0.55 | 0.79 | 31 | GOL |
| 3 | 116 | 0.44 | 0.78 | 19 | PEG |
| 4 | 94 | 0.42 | 0.78 | 24 | empty |
| 5 | 99 | 0.39 | 0.76 | 17 | empty |
Modifications
Observed in the structure: 2 disulfide (disulfide).
Compared structures
- 2X8G · Oxidized thioredoxin glutathione reductase from Schistosoma mansoni · 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 Q962Y6
- Elsewhere: RCSB PDB 2X8G · PDBe 2X8G · UniProt Q962Y6
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