BMRB Entry 51008

Title:
A novel in vitro Ab40 polymorph, which was used to study the PET agent flutemetamol binding to Ab40.
Deposition date:
2021-07-06
Original release date:
2022-02-25
Authors:
Duan, Pu; Chen, Kelly; Wijegunawardena, Gayani; Dregni, Aurelio; Wang, Harrison; Wu, Haifan; Hong, Mei
Citation:

Citation: Duan, Pu; Chen, Kelly; Wijegunawardena, Gayani; Dregni, Aurelio; Wang, Harrison; Wu, Haifan; Hong, Mei. "Binding Sites of a Positron Emission Tomography Imaging Agent in Alzheimer's beta-Amyloid Fibrils Studied Using 19 F Solid-State NMR"  J. Am. Chem. Soc. 144, 1416-1430 (2022).
PubMed: 35015530

Assembly members:

Assembly members:
entity_1, polymer, 40 residues, Formula weight is not available

Natural source:

Natural source:   Common Name: E. coli   Taxonomy ID: 562   Superkingdom: Bacteria   Kingdom: not available   Genus/species: Escherichia coli

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli   Vector: BL21(DE3)

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: DAEFRHDSGYEVHHQKLVFF AEDVGSNKGAIIGLMVGGVV

Data sets:
Data typeCount
13C chemical shifts153
15N chemical shifts41

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
  • Hide all

Assembly:

Entity Assembly IDEntity NameEntity ID
1Ab40, major form1
2Ab40, minor form1

Entities:

Entity 1, Ab40, major form 40 residues - Formula weight is not available

1   ASPALAGLUPHEARGHISASPSERGLYTYR
2   GLUVALHISHISGLNLYSLEUVALPHEPHE
3   ALAGLUASPVALGLYSERASNLYSGLYALA
4   ILEILEGLYLEUMETVALGLYGLYVALVAL

Samples:

sample_1: Amyloid beta 1-40, [U-100% 13C; U-100% 15N], 100%

sample_conditions_1: pH: 7.4; pressure: 1 atm; temperature: 287 K

Experiments:

NameSampleSample stateSample conditions
2D 13C-detected NCAsample_1isotropicsample_conditions_1
2D 13C-detected CORDsample_1isotropicsample_conditions_1
3D NCACXsample_1isotropicsample_conditions_1
3D NCOCXsample_1isotropicsample_conditions_1
3D CONCAsample_1isotropicsample_conditions_1

Software:

TOPSPIN - collection, processing

TALOS-N - structure solution

SPARKY - chemical shift assignment

HADDOCK - refinement

NMR spectrometers:

  • Bruker AVANCE III 800 MHz
  • Bruker AVANCE III 600 MHz