BMRB Entry 26892

Name: In solution NMR characterization of an engineered membrane active peptide, A-Cage-C
Published: 2021-07-26

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR26892

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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:

In solution NMR characterization of an engineered membrane active peptide, A-Cage-C

Deposition date:

2016-09-12

Original release date:

2021-07-26

Authors:

Dobrovolska, Olena; Halskau, Oyvind; Stromland, Oyvind

Citation:

Citation: Dobrovolska, Olena; StrOmland, Oyvind; Handegard, Orjan Sele; Jakubec, Martin; Govasli, Morten; Skjevik, age Aleksander; Froystein, Nils age; Teigen, Knut; Halskau, Oyvind. "Investigating the Disordered and Membrane-Active Peptide A-Cage-C Using Conformational Ensembles" Molecules 26, .-. (2021).
PubMed: 34204651

Assembly members:

Assembly members:
A-Cage-C, polymer, 58 residues, Formula weight is not available

Natural source:

Natural source: Common Name: cow Taxonomy ID: 9913 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Bos taurus

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pETDuet1ph

Entity Sequences (FASTA):

Entity Sequences (FASTA):
A-Cage-C: GSEQLTKAEVFRELKDLNLY IQWLKDGGPSSGRPPPSFLD DDLTDDIMAVKKILDKVG

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	68
15N chemical shifts	31
1H chemical shifts	64

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	A-Cage-C	1

Entities:

Entity 1, A-Cage-C 58 residues - Formula weight is not available

1

GLY

SER

GLU

GLN

LEU

THR

LYS

ALA

GLU

VAL

2

PHE

ARG

GLU

LEU

LYS

ASP

LEU

ASN

LEU

TYR

3

ILE

GLN

TRP

LEU

LYS

ASP

GLY

PRO

SER

4

SER

GLY

ARG

PRO

SER

PHE

LEU

ASP

5

ASP

LEU

THR

ASP

ILE

MET

ALA

VAL

6

LYS

ILE

LEU

ASP

LYS

VAL

GLY

Samples:

sample_1: A-Cage-C peptide, [U-99% 13C; U-99% 15N], 1.6 mM

sample_conditions_1: ionic strength: 0 M; pH: 4.5; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
3D HNCA	sample_1	isotropic	sample_conditions_1
3D HNCO	sample_1	isotropic	sample_conditions_1
3D CBCA(CO)NH	sample_1	isotropic	sample_conditions_1
3D HNCACB	sample_1	isotropic	sample_conditions_1
2D 1H-13C HSQC	sample_1	isotropic	sample_conditions_1
3D 1H-15N TOCSY	sample_1	isotropic	sample_conditions_1
3D HN(CO)CA	sample_1	isotropic	sample_conditions_1

Software:

TOPSPIN v3.5, Bruker Biospin - collection, processing

NMR spectrometers:

Bruker Avance 600 MHz

Download HSQC peak lists in one of the following formats:
CSV: Backbone or all simulated peaks
SPARKY: Backbone or all simulated peaks