MolNFT v1 · #45694 · protein
Atomic resolution structure of a disease-relevant ABETA(1-42) amyloid fibril
2NAO · Beta-amyloid protein 42: “Atomic resolution structure of a disease-relevant ABETA(1-42) amyloid fibril”. Solution nmr, 2 pockets (best druggability 0.46). MolNFT v1 #45694 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 2NAO
- Type
- protein
- Length
- 252 residues
- Chains
- 6
- Method
- solution nmr
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Beta-amyloid protein 42
- UniProt
- P05067
- Pockets
- 2 · best druggability 0.46
Structure
solution nmr · 1 distinct chain · 0% helix, 29% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D, E, F | Beta-amyloid protein 42 | protein | 42 | 0% helix, 29% strand | P05067 |
Pockets
2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 122 | 0.46 | 0.78 | 24 | empty |
| 2 | 114 | 0.45 | 0.78 | 22 | empty |
Interfaces
14 interfaces between chains.
- B–C · 1663 Ų buried · 39 hydrogen bonds · protein-protein
- A–B · 1627 Ų buried · 39 hydrogen bonds · protein-protein
- D–E · 1618 Ų buried · 40 hydrogen bonds · protein-protein
- E–F · 1612 Ų buried · 41 hydrogen bonds · protein-protein
- C–E · 223 Ų buried · 1 hydrogen bond · protein-protein
Compared structures
- 2NAO · Atomic resolution structure of a disease-relevant Abeta(1-42) amyloid fibril · the same entry in another collection · chain F against F, TM-score 1.00
- P05067 · AlphaFold monomer V2.0 prediction for amyloid-beta precursor protein (P05067) · a predicted model of the same protein · chain C against A, TM-score 0.31
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 P05067
- Elsewhere: RCSB PDB 2NAO · PDBe 2NAO · UniProt P05067
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