Research workbench
Crystal structure of yeast THIOREDOXIN1-glutathione mixed disulfide complex
Analyse Crystal structure of yeast THIOREDOXIN1-glutathione mixed disulfide complex in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3F3R
- Type
- protein
- Length
- 210 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Thioredoxin-1
- UniProt
- P22217
- Ligands
- GSH, SO4
- Pockets
- 1 · best druggability 0.42
Structure
x-ray diffraction · 2 distinct chains · 37% helix, 27% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Thioredoxin-1 | protein | 106 | 37% helix, 27% strand | P22217 |
| B | Thioredoxin-1 | protein | 104 | 38% helix, 27% strand | P22217 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 118 | 0.42 | 0.76 | 23 | SO4 |
Interfaces
1 interface between chains.
- A–B · 571 Ų buried · 9 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 covalent (covalent ligand).
Compared structures
- 3F3R · Crystal structure of yeast Thioredoxin1-glutathione mixed disulfide complex · the same entry in another collection · chain A against A, TM-score 1.00
- P22217 · AlphaFold monomer V2.0 prediction for thioredoxin-1 (P22217) · a predicted model of the same protein · chain B against A, TM-score 0.96
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 P22217
- Elsewhere: RCSB PDB 3F3R · PDBe 3F3R · UniProt P22217
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