BMRB Entry 11005

Name: Solution structure of a bent alpha-helix
Published: 2007-10-08

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR11005

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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 a bent alpha-helix

Deposition date:

2007-08-03

Original release date:

2007-10-08

Authors:

Zhang, Li; Morikis, Dimitrios

Citation:

Citation: Zhang, Li; Morikis, Dimitrios. "Solution structure of a bent alpha-helix" Biochemistry 46, 12959-12967 (2007).
PubMed: 17941649

Assembly members:

Assembly members:
Bent alpha-helix, polymer, 19 residues, 1925.152 Da.

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):
Bent alpha-helix: XWEAQAREALAKEAQARAX

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
1H chemical shifts	129

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	alpha_helix	1

Entities:

Entity 1, alpha_helix 19 residues - 1925.152 Da.

1

ACE

TRP

GLU

ALA

GLN

ALA

ARG

GLU

ALA

LEU

2

ALA

LYS

GLU

ALA

GLN

ALA

ARG

ALA

NH2

Samples:

sample_1: entity2 – 3 mM

sample_conditions_1: ionic strength: 0 M; pH: 5; pressure: 1 atm; temperature: 278 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-1H TOCSY	sample_1	isotropic	sample_conditions_1
2D DQF-COSY	sample_1	isotropic	sample_conditions_1
2D 1H-1H NOESY	sample_1	isotropic	sample_conditions_1

Software:

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

NMRView, Johnson, One Moon Scientific - chemical shift assignment, data analysis, peak picking

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

NMR spectrometers:

Bruker Avance 600 MHz