MolNFT v1 · #40750 · protein
Cross-reactivity and crystal structure of malassezia sympodialis thioredoxin (mala S 13), a member of a new pan-allergen family
2J23: “Cross-reactivity and crystal structure of malassezia sympodialis thioredoxin (mala S 13), a member of a new…”. X-ray diffraction, 3 pockets (best druggability 0.71). MolNFT v1 #40750 on GenesisL1: 3D structure, binding sites and…
- PDB
- 2J23
- Type
- protein
- Length
- 227 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Thioredoxin
- UniProt
- Q1RQI9
- Pockets
- 3 · best druggability 0.71
Structure
x-ray diffraction · 2 distinct chains · 37% helix, 24% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Thioredoxin | protein | 115 | 37% helix, 24% strand | Q1RQI9 |
| B | Thioredoxin | protein | 112 | 37% helix, 24% strand | Q1RQI9 |
Pockets
3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 70 | 0.71 | 0.96 | 24 | empty |
| 2 | 62 | 0.71 | 0.97 | 22 | empty |
| 3 | 100 | 0.36 | 0.75 | 17 | empty |
Interfaces
1 interface between chains.
- A–B · 1094 Ų buried · 9 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 disulfide (disulfide).
Compared structures
- 2J23 · Cross-reactivity and crystal structure of Malassezia sympodialis Thioredoxin (Mala s 13)… · the same entry in another collection · chain A against A, TM-score 1.00
- Q1RQI9 · AlphaFold monomer V2.0 prediction for thioredoxin (Q1RQI9) · a predicted model of the same protein · chain B against A, TM-score 0.92
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 Q1RQI9
- Elsewhere: RCSB PDB 2J23 · PDBe 2J23 · UniProt Q1RQI9
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.