MolNFT v1 · #183023 · protein
Type 2B alpha-synuclein filament seeded in vitro by filaments purified from multiple systems atrophy case 1
7NCI: “Type 2B alpha-synuclein filament seeded in vitro by filaments purified from multiple systems atrophy case 1”. Electron microscopy, 9 pockets (best druggability 0.75). MolNFT v1 #183023 on GenesisL1: 3D structure, binding sites and…
- PDB
- 7NCI
- Type
- protein
- Length
- 816 residues
- Chains
- 12
- Method
- electron microscopy
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Alpha-synuclein
- UniProt
- P37840
- Pockets
- 9 · best druggability 0.75
Structure
electron microscopy · 1 distinct chain · 0% helix, 34% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D, E, F, G, H, I, J, K, L | Alpha-synuclein | protein | 68 | 0% helix, 34% strand | P37840 |
Pockets
9 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 186 | 0.75 | 0.91 | 58 | empty |
| 2 | 154 | 0.75 | 0.93 | 56 | empty |
| 3 | 310 | 0.59 | 0.77 | 24 | empty |
| 4 | 106 | 0.44 | 0.78 | 23 | empty |
| 5 | 100 | 0.42 | 0.78 | 22 | empty |
Interfaces
22 interfaces between chains.
- K–L · 2645 Ų buried · 57 hydrogen bonds · protein-protein
- C–D · 2607 Ų buried · 58 hydrogen bonds · protein-protein
- E–F · 2602 Ų buried · 62 hydrogen bonds · protein-protein
- H–I · 2598 Ų buried · 67 hydrogen bonds · protein-protein
- B–C · 2592 Ų buried · 65 hydrogen bonds · protein-protein
Compared structures
- 7NCI · Type 2B alpha-synuclein filament seeded in vitro by filaments purified from Multiple… · the same entry in another collection · chain A against A, 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 P37840
- Elsewhere: RCSB PDB 7NCI · PDBe 7NCI · UniProt P37840
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