MolNFT v1 · #103973 · protein
High-resolution crystal structure of the E1-domain of the amyloid precursor protein
4PWQ · Amyloid beta A4 protein: “High-resolution crystal structure of the E1-domain of the amyloid precursor protein”. X-ray diffraction, 4 pockets (best druggability 0.46). MolNFT v1 #103973 on GenesisL1: 3D structure, binding sites and…
- PDB
- 4PWQ
- Type
- protein
- Length
- 315 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Amyloid beta A4 protein
- UniProt
- P05067
- Pockets
- 4 · best druggability 0.46
Structure
x-ray diffraction · 2 distinct chains · 16% helix, 38% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| B | Amyloid beta A4 protein | protein | 153 | 16% helix, 39% strand | P05067 |
| A | Amyloid beta A4 protein | protein | 162 | 15% helix, 37% strand | P05067 |
Pockets
4 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 112 | 0.46 | 0.79 | 30 | empty |
| 2 | 165 | 0.45 | 0.75 | 30 | empty |
| 3 | 107 | 0.44 | 0.78 | 18 | empty |
| 4 | 99 | 0.40 | 0.76 | 19 | empty |
Interfaces
1 interface between chains.
- B–A · 489 Ų buried · 3 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 11 disulfide (disulfide).
Compared structures
- 4PWQ · HIGH-RESOLUTION CRYSTAL STRUCTURE OF THE E1-DOMAIN of THE AMYLOID PRECURSOR PROTEIN · the same entry in another collection · chain B against B, TM-score 1.00
- P05067 · AlphaFold monomer V2.0 prediction for amyloid-beta precursor protein (P05067) · a predicted model of the same protein · chain B against A, TM-score 0.98
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 4PWQ · PDBe 4PWQ · UniProt P05067
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