MolNFT v1 · #175429 · protein
Peroxiredoxin from aeropyrum pernix K1 (apprx) C50S/K84A/C207S/C213S mutant (APPRX*K84A)
7CQJ: “Peroxiredoxin from aeropyrum pernix K1 (apprx) C50S/K84A/C207S/C213S mutant (APPRX*K84A)”. X-ray diffraction, 20 pockets (best druggability 0.65). MolNFT v1 #175429 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 7CQJ
- Type
- protein
- Length
- 2,928 residues
- Chains
- 12
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Peroxiredoxin
- EC
- 1.11.1.24
- UniProt
- Q9Y9L0
- Pockets
- 20 · best druggability 0.65
Structure
x-ray diffraction · 1 distinct chain · 36% helix, 23% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D, E, F, G, H, I, J, K, L | Peroxiredoxin (EC 1.11.1.24) | protein | 244 | 36% helix, 23% strand | Q9Y9L0 |
Pockets
20 pockets found on a 1 Å grid, 16 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 69 | 0.65 | 0.93 | 18 | empty |
| 2 | 73 | 0.61 | 0.90 | 16 | empty |
| 3 | 82 | 0.57 | 0.87 | 16 | empty |
| 4 | 69 | 0.57 | 0.89 | 16 | empty |
| 5 | 74 | 0.57 | 0.88 | 16 | empty |
Interfaces
24 interfaces between chains.
- E–F · 3680 Ų buried · 53 hydrogen bonds · protein-protein
- C–D · 3587 Ų buried · 50 hydrogen bonds · protein-protein
- G–H · 3565 Ų buried · 52 hydrogen bonds · protein-protein
- I–J · 3560 Ų buried · 52 hydrogen bonds · protein-protein
- K–L · 3554 Ų buried · 58 hydrogen bonds · protein-protein
Compared structures
- 7CQJ · Peroxiredoxin from Aeropyrum pernix K1 (ApPrx) C50S/K84A/C207S/C213S mutant (ApPrx*K84A) · the same entry in another collection · chain F against F, TM-score 1.00
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 7CQJ · PDBe 7CQJ · UniProt Q9Y9L0
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