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Crystal structure of the intracellular domain of human app (T668E mutant) in complex with FE65-PTB2

Analyse Crystal structure of the intracellular domain of human app (T668E mutant) in… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
3DXD
Type
protein
Length
307 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Amyloid beta A4 protein-binding family B member 1; Amyloid beta A4 protein
UniProt
O00213, P05067
Pockets
2 · best druggability 0.33

Structure

x-ray diffraction · 4 distinct chains · 36% helix, 36% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AAmyloid beta A4 protein-binding family B member 1protein13129% helix, 40% strandO00213
BAmyloid beta A4 proteinprotein2767% helix, 7% strandP05067
CAmyloid beta A4 protein-binding family B member 1protein12332% helix, 44% strandO00213
DAmyloid beta A4 proteinprotein2662% helix, 8% strandP05067

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1910.330.7316empty
2730.290.7316empty

Interfaces

4 interfaces between chains.

  • A–B · 1109 Ų buried · 13 hydrogen bonds · protein-protein
  • C–D · 1090 Ų buried · 14 hydrogen bonds · protein-protein
  • A–C · 678 Ų buried · 15 hydrogen bonds · protein-protein
  • A–D · 29 Ų buried · 0 hydrogen bonds · protein-protein

Compared structures

  • 3DXD · Crystal structure of the intracellular domain of human APP (T668E mutant) in complex with… · the same entry in another collection · chain D against D, TM-score 1.00
  • O00213 · AlphaFold monomer V2.0 prediction for amyloid-beta A4 precursor protein-binding family B… · a predicted model of the same protein · chain A against A, TM-score 0.97
  • 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 0.47

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