MolNFT v1 · #79750 · protein
Crystallographic and spectroscopic characterization of sulfolobus solfataricus TRXA1 provide insights into the determinants of thioredoxin fold stability
3TCO · Thioredoxin (trxa-1): “Crystallographic and spectroscopic characterization of sulfolobus solfataricus TRXA1 provide insights into…”. X-ray diffraction, 5 pockets (best druggability 0.48). MolNFT v1 #79750 on GenesisL1: 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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