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Structure of alzheimer ab peptide in complex with an engineered binding protein

Analyse Structure of alzheimer ab peptide in complex with an engineered binding protein in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
2OTK
Type
protein
Length
111 residues
Chains
3
Method
solution nmr
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Amyloid beta A4 protein; ZAB3 affibody dimer
UniProt
P05067
Pockets
2 · best druggability 0.46

Structure

solution nmr · 2 distinct chains · 44% helix, 31% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
CAmyloid beta A4 proteinprotein2512% helix, 68% strandP05067
E, FZAB3 affibody dimerprotein4363% helix, 9% strand—

Pockets

2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11070.460.7917empty
2800.420.7914empty

Interfaces

3 interfaces between chains.

  • C–F · 581 Ų buried · 6 hydrogen bonds · protein-protein
  • C–E · 565 Ų buried · 9 hydrogen bonds · protein-protein
  • E–F · 371 Ų buried · 1 hydrogen bond · protein-protein

Modifications

Observed in the structure: 1 disulfide (disulfide).

Compared structures

  • 2OTK · Structure of Alzheimer Ab peptide in complex with an engineered binding protein · the same entry in another collection · chain C against C, 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 0.38

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