Research workbench
Design of disulfide-linked thioredoxin dimers and multimers through analysis of crystal contacts
Analyse Design of disulfide-linked thioredoxin dimers and multimers through analysis of… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2EIO
- Type
- protein
- Length
- 428 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Thioredoxin 1
- UniProt
- P0AA25
- Pockets
- 3 · best druggability 0.70
Structure
x-ray diffraction · 1 distinct chain · 33% helix, 28% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D | Thioredoxin 1 | protein | 107 | 33% helix, 28% strand | P0AA25 |
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 207 | 0.70 | 0.87 | 26 | empty |
| 2 | 60 | 0.31 | 0.75 | 12 | empty |
| 3 | 57 | 0.31 | 0.76 | 23 | empty |
Interfaces
3 interfaces between chains.
- B–C · 410 Ų buried · 1 hydrogen bond · protein-protein
- A–B · 310 Ų buried · 5 hydrogen bonds · protein-protein
- C–D · 295 Ų buried · 5 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 6 disulfide (disulfide).
Compared structures
- 2EIO · Design of Disulfide-linked Thioredoxin Dimers and Multimers Through Analysis of Crystal… · the same entry in another collection · chain A against A, TM-score 1.00
- P0AA25 · AlphaFold monomer V2.0 prediction for thioredoxin 1 (P0AA25) · a predicted model of the same protein · chain A against A, TM-score 0.99
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 P0AA25
- Elsewhere: RCSB PDB 2EIO · PDBe 2EIO · UniProt P0AA25
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