MolNFT v1 · #123188 · protein
Structure of human peroxiredoxin 3 as three stacked rings
5JCG · Thioredoxin-dependent peroxide reductase, mitochondrial: “Structure of human peroxiredoxin 3 as three stacked rings”. X-ray diffraction, 20 pockets (best druggability 0.78). MolNFT v1 #123188 on GenesisL1: 3D structure, binding…
- PDB
- 5JCG
- Type
- protein
- Length
- 1,755 residues
- Chains
- 9
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Thioredoxin-dependent peroxide reductase, mitochondrial
- EC
- 1.11.1.15
- UniProt
- P30048
- Pockets
- 20 · best druggability 0.78
Structure
x-ray diffraction · 1 distinct chain · 30% helix, 27% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D, E, F, G, H, I | Thioredoxin-dependent peroxide reductase, mitochondrial (EC 1.11.1.15) | protein | 195 | 30% helix, 27% strand | P30048 |
Pockets
20 pockets found on a 1 Å grid, 10 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 94 | 0.78 | 0.98 | 22 | empty |
| 2 | 77 | 0.76 | 0.99 | 21 | empty |
| 3 | 78 | 0.75 | 0.98 | 21 | empty |
| 4 | 77 | 0.74 | 0.98 | 22 | empty |
| 5 | 1035 | 0.71 | 0.75 | 82 | empty |
Interfaces
12 interfaces between chains.
- C–D · 2070 Ų buried · 29 hydrogen bonds · protein-protein
- A–B · 2050 Ų buried · 28 hydrogen bonds · protein-protein
- H–I · 2048 Ų buried · 28 hydrogen bonds · protein-protein
- F–G · 1999 Ų buried · 25 hydrogen bonds · protein-protein
- G–I · 660 Ų buried · 3 hydrogen bonds · protein-protein
Compared structures
- 5JCG · Structure of Human Peroxiredoxin 3 as three stacked rings · the same entry in another collection · chain I against I, TM-score 1.00
- P30048 · AlphaFold monomer V2.0 prediction for thioredoxin-dependent peroxide reductase… · 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 P30048
- Elsewhere: RCSB PDB 5JCG · PDBe 5JCG · UniProt P30048
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