MolNFT v1 · #83395 · protein
Crystal structure of ERP46 TRX2 in a complex with PRX4 C-term
3WGX · Thioredoxin domain-containing protein 5: “Crystal structure of ERP46 TRX2 in a complex with PRX4 C-term”. X-ray diffraction, 1 pocket (best druggability 0.56). MolNFT v1 #83395 on GenesisL1: 3D structure, binding sites and pockets…
- PDB
- 3WGX
- Type
- protein
- Length
- 234 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Thioredoxin domain-containing protein 5; Peroxiredoxin-4
- UniProt
- Q8NBS9, O08807
- Pockets
- 1 · best druggability 0.56
Structure
x-ray diffraction · 4 distinct chains · 33% helix, 29% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Thioredoxin domain-containing protein 5 | protein | 109 | 36% helix, 29% strand | Q8NBS9 |
| B | Thioredoxin domain-containing protein 5 | protein | 112 | 34% helix, 29% strand | Q8NBS9 |
| C | Peroxiredoxin-4 | protein | 7 | 0% helix, 29% strand | O08807 |
| D | Peroxiredoxin-4 | protein | 6 | 0% helix, 33% strand | O08807 |
Ligands and binding sites
- GOL · Glycerol · additive · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 195 | 0.56 | 0.80 | 30 | empty |
Interfaces
3 interfaces between chains.
- A–C · 394 Ų buried · 5 hydrogen bonds · protein-protein
- B–D · 335 Ų buried · 5 hydrogen bonds · protein-protein
- A–B · 278 Ų buried · 0 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 disulfide (disulfide).
Compared structures
- 3WGX · Crystal structure of ERp46 Trx2 in a complex with Prx4 C-term · the same entry in another collection · chain D against D, TM-score 1.00
- Q8NBS9 · AlphaFold monomer V2.0 prediction for thioredoxin domain-containing protein 5 (Q8NBS9) · a predicted model of the same protein · chain A against A, TM-score 0.99
- O08807 · AlphaFold monomer V2.0 prediction for peroxiredoxin-4 (O08807) · a predicted model of the same protein · chain D against A, TM-score 0.71
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 Q8NBS9
- Every structure of UniProt O08807
- Elsewhere: RCSB PDB 3WGX · PDBe 3WGX · UniProt Q8NBS9 · UniProt O08807
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