Research workbench
Oxidation of archaeal peroxiredoxin involves a hypervalent sulfur intermediate
Analyse Oxidation of archaeal peroxiredoxin involves a hypervalent sulfur intermediate in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2ZCT
- Type
- protein
- Length
- 2,361 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 0.69
Structure
x-ray diffraction · 7 distinct chains · 36% helix, 23% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Probable peroxiredoxin (EC 1.11.1.15) | protein | 236 | 37% helix, 23% strand | Q9Y9L0 |
| B | Probable peroxiredoxin (EC 1.11.1.15) | protein | 234 | 35% helix, 24% strand | Q9Y9L0 |
| C, F | Probable peroxiredoxin (EC 1.11.1.15) | protein | 237 | 37% helix, 23% strand | Q9Y9L0 |
| D | Probable peroxiredoxin (EC 1.11.1.15) | protein | 238 | 35% helix, 23% strand | Q9Y9L0 |
| E, J | Probable peroxiredoxin (EC 1.11.1.15) | protein | 236 | 36% helix, 23% strand | Q9Y9L0 |
| G | Probable peroxiredoxin (EC 1.11.1.15) | protein | 237 | 36% helix, 23% strand | Q9Y9L0 |
| H, I | Probable peroxiredoxin (EC 1.11.1.15) | protein | 235 | 38% helix, 23% strand | Q9Y9L0 |
Pockets
20 pockets found on a 1 Å grid, 12 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 75 | 0.69 | 0.94 | 21 | empty |
| 2 | 64 | 0.67 | 0.94 | 19 | empty |
| 3 | 327 | 0.62 | 0.79 | 45 | empty |
| 4 | 355 | 0.61 | 0.77 | 42 | empty |
| 5 | 348 | 0.60 | 0.77 | 45 | empty |
Interfaces
20 interfaces between chains.
- I–J · 3240 Ų buried · 41 hydrogen bonds · protein-protein
- C–D · 3239 Ų buried · 42 hydrogen bonds · protein-protein
- E–F · 3194 Ų buried · 45 hydrogen bonds · protein-protein
- G–H · 3172 Ų buried · 39 hydrogen bonds · protein-protein
- A–B · 3161 Ų buried · 43 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 10 modified (oxidation).
Compared structures
- 2ZCT · Oxidation of archaeal peroxiredoxin involves a hypervalent sulfur intermediate · 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 C 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 2ZCT · PDBe 2ZCT · UniProt Q9Y9L0
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