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MolNFT v1 · #183741 · protein

Amyloid beta oligomer displayed on the alpha hemolysin scaffold

7O1Q · Alpha-hemolysin hybridized abeta: “Amyloid beta oligomer displayed on the alpha hemolysin scaffold”. Electron microscopy, 20 pockets (best druggability 0.82). MolNFT v1 #183741 on GenesisL1: 3D structure, binding sites and pockets…

PDB
7O1Q
Type
protein
Length
2,051 residues
Chains
7
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Alpha-hemolysin hybridized abeta
UniProt
P09616, P05067
Pockets
20 · best druggability 0.82

Structure

electron microscopy · 1 distinct chain · 2% helix, 59% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B, C, D, E, F, GAlpha-hemolysin hybridized abetaprotein2932% helix, 59% strandP09616, P05067

Pockets

20 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
17150.820.8690empty
25010.820.8878empty
37070.750.8176empty
42860.740.8752empty
51840.730.8934empty

Interfaces

14 interfaces between chains.

  • F–G · 2734 Ų buried · 54 hydrogen bonds · protein-protein
  • E–F · 2733 Ų buried · 54 hydrogen bonds · protein-protein
  • B–C · 2732 Ų buried · 54 hydrogen bonds · protein-protein
  • C–D · 2730 Ų buried · 54 hydrogen bonds · protein-protein
  • D–E · 2730 Ų buried · 54 hydrogen bonds · protein-protein

Compared structures

  • 7O1Q · Amyloid beta oligomer displayed on the alpha hemolysin scaffold · the same entry in another collection · chain B against B, TM-score 1.00
  • P09616 · AlphaFold monomer V2.0 prediction for alpha-hemolysin (P09616) · a predicted model of the same protein · chain G against A, TM-score 0.79

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