BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
Member of WWPDB

BMRB Entry 25429

Title: 42-Residue Beta Amyloid Fibril

Authors: Xiao, Yiling; Ma, Buyong; McElheny, Dan; Parthasarathy, Sudhakar; Long, Fei; Hoshi, Minako; Nussinov, Ruth; Ishii, Yoshitaka

Citation: Xiao, Yiling; Ma, Buyong; McElheny, Dan; Parthasarathy, Sudhakar; Long, Fei; Hoshi, Minako; Nussinov, Ruth; Ishii, Yoshitaka. "A (1-42) Fibril Structure Illuminates Self-recognition and Replication Machinery of Amyloid in Alzheimer's"  Nat. Struct. Biol. ., .-..

Assembly members:
entity, polymer, 42 residues, 3339.934 Da.

Natural source:   Common Name: Human   Taxonomy ID: 9606   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Homo sapiens

Experimental source:   Production method: chemical synthesis

Entity Sequences (FASTA):
entity: DAEFRHDSGYEVHHQKLVFF AEDVGSNKGAIIGLMVGGVV IA

Data sets:
Data typeCount
13C chemical shifts78
15N chemical shifts25

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1entity_11
2entity_21
3entity_31
4entity_41
5entity_51
6entity_61
7entity_71
8entity_81
9entity_91
10entity_101
11entity_111
12entity_121

Entities:

Entity 1, entity_1 42 residues - 3339.934 Da.

1   ASPALAGLUPHEARGHISASPSERGLYTYR
2   GLUVALHISHISGLNLYSLEUVALPHEPHE
3   ALAGLUASPVALGLYSERASNLYSGLYALA
4   ILEILEGLYLEUMETVALGLYGLYVALVAL
5   ILEALA

Samples:

sample_1: AB42, [U-100% 13C; U-100% 15N], 50 uM; sodium phosphate 10 mM; H2O 90%; D2O 10%

sample_conditions_1: pH: 7.4; pressure: 1 atm; temperature: 283 K

Experiments:

NameSampleSample stateSample conditions
2D 13C-13C DARR (50 ms)sample_1solidsample_conditions_1
2D 13C-13C DARR (200 ms)sample_1solidsample_conditions_1
2D 13C-15N correlationsample_1solidsample_conditions_1
1D 13C-13C fpRFDR-CTsample_1solidsample_conditions_1
1D 13C-15N REDORsample_1solidsample_conditions_1

Software:

CYANA v2.1 - chemical shift assignment

NMR spectrometers:

  • Bruker Avance 400 MHz
  • Varian UnityPlus 400 MHz

Related Database Links:

BMRB 11435 15775 17159 17186 17764 17793 17794 17795 17796 18052 18127 18128 18129 18131 19009 19309 19393 25218 25289 26508 26516
PDB
DBJ BAA22264 BAA84580 BAB71958 BAD51938 BAE01907
EMBL CAA30050 CAA31830 CAA39589 CAA39590 CAA39591
GB AAA35540 AAA36829 AAA51564 AAA51722 AAA51726
PIR A60045 D60045 E60045 G60045 PQ0438
PRF 1303338A 1403400A 1405204A 1507304A 1507304B
REF NP_000475 NP_001006601 NP_001013036 NP_001070264 NP_001127014
SP P05067 P53601 P79307 P86906 Q28053
TPG DAA33655