BMRB Entry 27873

Name: Solution structure of an alpha sheet hairpin peptide
Published: 2019-05-09

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR27873

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Nicholas Rego and David Koes
3Dmol.js: molecular visualization with WebGL
Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title:

Solution structure of an alpha sheet hairpin peptide

Deposition date:

2019-04-08

Original release date:

2019-05-09

Authors:

Shea, Dylan; Hsu, Cheng-Chieh; Bi, Timothy; Paranjapye, Natasha; Childers, Matthew; Cochran, Joshua; Tomberlin, Colson; Wang, Libo; Paris, Daniel; Zonderman, Jeffrey; Varani, Gabriele; Link, Christopher; Mullan, Mike; Daggett, Valerie

Citation:

Citation: Shea, Dylan; Hsu, Cheng-Chieh; Bi, Timothy; Paranjapye, Natasha; Childers, Matthew Carter; Cochran, Joshua; Tomberlin, Colson; Wang, Libo; Paris, Daniel; Zonderman, Jeffrey; Varani, Gabriele; Link, Christopher; Mullan, Mike; Daggett, Valerie. "alpha-Sheet secondary structure in amyloid beta-peptide drives aggregation and toxicity in Alzheimer's disease" Proc. Natl. Acad. Sci. U.S.A. 116, 8895-8900 (2019).
PubMed: 31004062

Assembly members:

Assembly members:
AP407, polymer, 25 residues, Formula weight is not available

Natural source:

Natural source: Common Name: not available Taxonomy ID: not available Superkingdom: not available Kingdom: not available Genus/species: not available not available

Experimental source:

Experimental source: Production method: chemical synthesis

Entity Sequences (FASTA):

Entity Sequences (FASTA):
AP407: XRGEXNXCXMNEYSGWXMXL XMGRX

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1
- assigned_chem_shift_list_2
coupling_constants
- coupling_constant_list_1
homonucl_NOEs
- homonuclear_NOE_list_1

Data type	Count
13C chemical shifts	75
1H chemical shifts	153
coupling constants	6
homonuclear NOE values	455

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	AP407	1

Entities:

Entity 1, AP407 25 residues - Formula weight is not available

This is a heterochiral polypeptide containing both L- and D-amino acids. In the one letter code, upper case letters refer to L-amino acids and lower case letters refer to D-amino acids. The N-terminus is acetylated and C-terminus is amidated.

1

ACE

ARG

GLY

GLU

MED

ASN

DLE

CYS

DTR

MET

2

ASN

GLU

TYR

SER

GLY

TRP

DCY

MET

DSG

LEU

3

DLY

MET

GLY

ARG

NH2

Samples:

sample_1: AP407 800 uM; potassium phosphate 50 mM; potassium chloride 10 mM

sample_conditions_1: pH: 5.8; pressure: 1 atm; temperature: 273 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-13C HSQC	sample_1	isotropic	sample_conditions_1
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
2D 1H-1H NOESY	sample_1	isotropic	sample_conditions_1
2D 1H-1H TOCSY	sample_1	isotropic	sample_conditions_1

Software:

NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing

NMR spectrometers:

Bruker Avance 800 MHz
Bruker Avance 600 MHz