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Type I beta-amyloid 42 filaments from human brain

Analyse Type I beta-amyloid 42 filaments from human brain in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
7Q4B
Type
protein
Length
340 residues
Chains
10
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Amyloid-beta precursor protein
UniProt
P05067
Ligands
UNX
Pockets
2 · best druggability 0.65

Structure

electron microscopy · 1 distinct chain · 0% helix, 56% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
R, A, B, C, D, E, F, G, H, IAmyloid-beta precursor proteinprotein340% helix, 56% strandP05067

Ligands and binding sites

  • UNX · Unknown atom or ion · ion · 10 copies · chains R, D, A, E, B, C, F, G, H, I

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

2 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1960.650.9032empty
21070.550.8431empty

Interfaces

31 interfaces between chains.

  • B–F · 1345 Ų buried · 38 hydrogen bonds · protein-protein
  • R–B · 1341 Ų buried · 36 hydrogen bonds · protein-protein
  • C–G · 1339 Ų buried · 37 hydrogen bonds · protein-protein
  • A–C · 1333 Ų buried · 35 hydrogen bonds · protein-protein
  • R–D · 1333 Ų buried · 35 hydrogen bonds · protein-protein

Compared structures

  • 7Q4B · Type I beta-amyloid 42 Filaments from Human Brain · the same entry in another collection · chain I against I, 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

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