MolNFT v1 · #98820 · protein
The structure of the trx and txnip complex
4LL4 · Thioredoxin-interacting protein: “The structure of the trx and txnip complex”. X-ray diffraction, 10 pockets (best druggability 0.73). MolNFT v1 #98820 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4LL4
- Type
- protein
- Length
- 768 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Thioredoxin-interacting protein; Thioredoxin
- UniProt
- Q9H3M7, P10599
- Pockets
- 10 · best druggability 0.73
Structure
x-ray diffraction · 3 distinct chains · 6% helix, 57% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Thioredoxin-interacting protein | protein | 277 | 0% helix, 61% strand | Q9H3M7 |
| B, D | Thioredoxin | protein | 105 | 39% helix, 27% strand | P10599 |
| C | Thioredoxin-interacting protein | protein | 281 | 0% helix, 65% strand | Q9H3M7 |
Pockets
10 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 901 | 0.73 | 0.77 | 76 | empty |
| 2 | 301 | 0.61 | 0.79 | 30 | empty |
| 3 | 286 | 0.58 | 0.77 | 26 | empty |
| 4 | 169 | 0.51 | 0.78 | 26 | empty |
| 5 | 99 | 0.49 | 0.81 | 19 | empty |
Interfaces
3 interfaces between chains.
- A–C · 1419 Ų buried · 20 hydrogen bonds · protein-protein
- C–D · 470 Ų buried · 8 hydrogen bonds · protein-protein
- A–B · 464 Ų buried · 8 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 3 disulfide (disulfide).
Compared structures
- 4LL4 · The structure of the TRX and TXNIP complex · the same entry in another collection · chain A against A, TM-score 1.00
- P10599 · AlphaFold monomer V2.0 prediction for thioredoxin (P10599) · a predicted model of the same protein · chain B against A, TM-score 0.98
- Q9H3M7 · AlphaFold monomer V2.0 prediction for thioredoxin-interacting protein (Q9H3M7) · a predicted model of the same protein · chain C against A, TM-score 0.50
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 Q9H3M7
- Every structure of UniProt P10599
- Elsewhere: RCSB PDB 4LL4 · PDBe 4LL4 · UniProt Q9H3M7 · UniProt P10599
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