MolNFT v1 · #59383 · protein
Crystal structure of aggregated form of DJ1
3BWE · Protein dj-1: “Crystal structure of aggregated form of DJ1”. X-ray diffraction, 1 ligand (PO4), 10 pockets (best druggability 0.83). MolNFT v1 #59383 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 3BWE
- Type
- protein
- Length
- 1,309 residues
- Chains
- 7
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Protein dj-1
- UniProt
- Q99497
- Ligands
- PO4
- Pockets
- 10 · best druggability 0.83
Structure
x-ray diffraction · 4 distinct chains · 42% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C | Protein dj-1 | protein | 188 | 40% helix, 21% strand | Q99497 |
| B | Protein dj-1 | protein | 187 | 42% helix, 21% strand | Q99497 |
| D, F, G | Protein dj-1 | protein | 186 | 42% helix, 21% strand | Q99497 |
| E | Protein dj-1 | protein | 188 | 42% helix, 21% strand | Q99497 |
Ligands and binding sites
- PO4 · Phosphate ion · ion · 7 copies · chains A, B, C, D, E, F, G
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
10 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1071 | 0.83 | 0.84 | 95 | PO4 |
| 2 | 1063 | 0.83 | 0.84 | 96 | PO4 |
| 3 | 710 | 0.72 | 0.79 | 54 | PO4 |
| 4 | 127 | 0.50 | 0.80 | 24 | empty |
| 5 | 148 | 0.48 | 0.77 | 23 | empty |
Interfaces
13 interfaces between chains.
- A–B · 1348 Ų buried · 25 hydrogen bonds · protein-protein
- C–D · 1317 Ų buried · 23 hydrogen bonds · protein-protein
- E–F · 1299 Ų buried · 22 hydrogen bonds · protein-protein
- E–G · 294 Ų buried · 5 hydrogen bonds · protein-protein
- D–F · 289 Ų buried · 0 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 30 modified, 1 disulfide (engineered, disulfide).
Compared structures
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 Q99497
- Elsewhere: RCSB PDB 3BWE · PDBe 3BWE · UniProt Q99497
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.