MolNFT v1 · #121283 · protein
Crystal structure of the ERP44-peroxiredoxin 4 complex
5HQP · Peroxiredoxin-4: “Crystal structure of the ERP44-peroxiredoxin 4 complex”. X-ray diffraction, 11 pockets (best druggability 0.74). MolNFT v1 #121283 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 5HQP
- Type
- protein
- Length
- 883 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Peroxiredoxin-4; Endoplasmic reticulum resident protein 44
- EC
- 1.11.1.15
- UniProt
- Q13162, Q9BS26
- Pockets
- 11 · best druggability 0.74
Structure
x-ray diffraction · 4 distinct chains · 32% helix, 23% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Peroxiredoxin-4 (EC 1.11.1.15) | protein | 181 | 28% helix, 27% strand | Q13162 |
| B | Peroxiredoxin-4 (EC 1.11.1.15) | protein | 175 | 29% helix, 28% strand | Q13162 |
| C | Endoplasmic reticulum resident protein 44 | protein | 323 | 35% helix, 21% strand | Q9BS26 |
| D | Endoplasmic reticulum resident protein 44 | protein | 204 | 34% helix, 21% strand | Q9BS26 |
Pockets
11 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1147 | 0.74 | 0.77 | 88 | empty |
| 2 | 71 | 0.74 | 0.98 | 25 | empty |
| 3 | 552 | 0.70 | 0.79 | 60 | empty |
| 4 | 260 | 0.60 | 0.79 | 37 | empty |
| 5 | 137 | 0.43 | 0.75 | 22 | empty |
Interfaces
5 interfaces between chains.
- A–B · 1301 Ų buried · 9 hydrogen bonds · protein-protein
- A–C · 629 Ų buried · 9 hydrogen bonds · protein-protein
- B–D · 422 Ų buried · 6 hydrogen bonds · protein-protein
- A–D · 321 Ų buried · 2 hydrogen bonds · protein-protein
- B–C · 312 Ų buried · 3 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 3 disulfide (disulfide).
Compared structures
- 5HQP · Crystal structure of the ERp44-peroxiredoxin 4 complex · the same entry in another collection · chain D against D, TM-score 1.00
- Q9BS26 · AlphaFold monomer V2.0 prediction for endoplasmic reticulum resident protein 44 (Q9BS26) · a predicted model of the same protein · chain D against A, TM-score 0.96
- Q13162 · AlphaFold monomer V2.0 prediction for peroxiredoxin-4 (Q13162) · a predicted model of the same protein · chain B against A, TM-score 0.93
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 Q13162
- Every structure of UniProt Q9BS26
- Elsewhere: RCSB PDB 5HQP · PDBe 5HQP · UniProt Q13162 · UniProt Q9BS26
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.