Research workbench
Crystallographic and spectroscopic characterization of sulfolobus solfataricus TRXA1 provide insights into the determinants of thioredoxin fold stability
Analyse Crystallographic and spectroscopic characterization of sulfolobus solfataricus… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3TCO
- Type
- protein
- Length
- 318 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Thioredoxin (trxa-1)
- UniProt
- Q980E5
- Pockets
- 5 · best druggability 0.48
Structure
x-ray diffraction · 1 distinct chain · 38% helix, 26% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C | Thioredoxin (trxa-1) | protein | 106 | 38% helix, 26% strand | Q980E5 |
Ligands and binding sites
- EDO · 1,2-ethanediol · additive · 8 copies · chains A, B, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 86 | 0.48 | 0.82 | 26 | EDO |
| 2 | 94 | 0.47 | 0.80 | 25 | EDO |
| 3 | 163 | 0.43 | 0.74 | 24 | empty |
| 4 | 76 | 0.32 | 0.74 | 17 | empty |
| 5 | 53 | 0.31 | 0.76 | 14 | empty |
Interfaces
2 interfaces between chains.
- A–B · 519 Ų buried · 7 hydrogen bonds · protein-protein
- B–C · 504 Ų buried · 13 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 3 disulfide (disulfide).
Compared structures
- 3TCO · Crystallographic and spectroscopic characterization of Sulfolobus solfataricus TrxA1… · 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 Q980E5
- Elsewhere: RCSB PDB 3TCO · PDBe 3TCO · UniProt Q980E5
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