BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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BMRB Entry 19058

Title: Atomic-resolution structure of a doublet cross-beta amyloid fibril   PubMed: 23513222

Authors: Fitzpatrick, Anthony; Debelouchina, Galia; Bayro, Marvin; Clare, Daniel; Caporini, Marc; Bajaj, Vikram; Jaroniec, Christopher; Wang, Luchun; Ladizhansky, Vladimir; Muller, Shirley; MacPhee, Cait; Waudby, Christopher; Mott, Helen; de Simone, Alfonso; Knowles, Tuomas; Saibil, Helen; Vendruscolo, Michele; Orlova, Elena; Griffin, Robert; Dobson, Christopher

Citation: Fitzpatrick, Anthony; Debelouchina, Galia; Bayro, Marvin; Clare, Daniel; Caporini, Marc; Bajaj, Vikram; Jaroniec, Christopher; Wang, Luchun; Ladizhansky, Vladimir; Muller, Shirley; MacPhee, Cait; Waudby, Christopher; Mott, Helen; de Simone, Alfonso; Knowles, Tuomas; Saibil, Helen; Vendruscolo, Michele; Orlova, Elena; Griffin, Robert; Dobson, Christopher. "Atomic structure and hierarchical assembly of a cross-beta amyloid fibril"  Proc. Natl. Acad. Sci. U.S.A. 110, 5468-5473 (2013).

Assembly members:
entity, polymer, 11 residues, 1198.378 Da.

Natural source:   Common Name: Rat   Taxonomy ID: 10116   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Rattus norvegicus

Experimental source:   Production method: chemical synthesis

Entity Sequences (FASTA):
entity: YTIAALLSPYS

Data sets:
Data typeCount
13C chemical shifts56
15N chemical shifts9

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1doublet cross-beta amyloid fibril1

Entities:

Entity 1, doublet cross-beta amyloid fibril 11 residues - 1198.378 Da.

1   TYRTHRILEALAALALEULEUSERPROTYR
2   SER

Samples:

sample_1: TTR(105-115), [U-100% 13C; U-100% 15N], 15 mg/mL; acetonitrile 10%; H2O 90%

sample_conditions_1: pH: 2; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
1D DQ-DRAWSsample_1isotropicsample_conditions_1
REDORsample_1isotropicsample_conditions_1
ZF-TEDORsample_1isotropicsample_conditions_1
2D PDSDsample_1isotropicsample_conditions_1

Software:

CNSSOLVE, Brunger, Adams, Clore, Gros, Nilges and Read - structure solution

NMR spectrometers:

  • Bruker . 900 MHz
  • . . 750 MHz
  • . . 500 MHz

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