MolNFT v1 · #35138 · protein
Crystal structure of archaeal peroxiredoxin, thioredoxin peroxidase from aeropyrum pernix K1 (pre-oxidation form)
2E2G · Probable peroxiredoxin: “Crystal structure of archaeal peroxiredoxin, thioredoxin peroxidase from aeropyrum pernix K1 (pre-oxidation…”. X-ray diffraction, 20 pockets (best druggability 0.62). MolNFT v1 #35138 on GenesisL1: 3D…
- PDB
- 2E2G
- Type
- protein
- Length
- 2,382 residues
- Chains
- 10
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Probable peroxiredoxin
- EC
- 1.11.1.15
- UniProt
- Q9Y9L0
- Pockets
- 20 · best druggability 0.62
Structure
x-ray diffraction · 3 distinct chains · 37% helix, 23% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, D, E, F, G, H, I, J | Probable peroxiredoxin (EC 1.11.1.15) | protein | 238 | 36% helix, 23% strand | Q9Y9L0 |
| B | Probable peroxiredoxin (EC 1.11.1.15) | protein | 239 | 38% helix, 23% strand | Q9Y9L0 |
| C | Probable peroxiredoxin (EC 1.11.1.15) | protein | 239 | 38% helix, 23% strand | Q9Y9L0 |
Pockets
20 pockets found on a 1 Å grid, 11 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 330 | 0.62 | 0.78 | 45 | empty |
| 2 | 293 | 0.61 | 0.79 | 41 | empty |
| 3 | 323 | 0.61 | 0.78 | 52 | empty |
| 4 | 302 | 0.61 | 0.79 | 41 | empty |
| 5 | 320 | 0.60 | 0.78 | 49 | empty |
Interfaces
20 interfaces between chains.
- A–F · 3275 Ų buried · 42 hydrogen bonds · protein-protein
- B–E · 3260 Ų buried · 41 hydrogen bonds · protein-protein
- C–D · 3234 Ų buried · 42 hydrogen bonds · protein-protein
- G–H · 3222 Ų buried · 46 hydrogen bonds · protein-protein
- I–J · 3209 Ų buried · 44 hydrogen bonds · protein-protein
Compared structures
- 2E2G · Crystal structure of archaeal peroxiredoxin, thioredoxin peroxidase from Aeropyrum pernix… · the same entry in another collection · chain J against J, TM-score 1.00
- Q9Y9L0 · AlphaFold monomer V2.0 prediction for peroxiredoxin (Q9Y9L0) · a predicted model of the same protein · chain A against A, TM-score 0.99
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 Q9Y9L0
- Elsewhere: RCSB PDB 2E2G · PDBe 2E2G · UniProt Q9Y9L0
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