BMRB Entry 16407

Name: Role of Trp-Trp interactions in Trpzip beta-hairpin formation, structure and stability
Published: 2009-08-25

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR16407

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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:

Role of Trp-Trp interactions in Trpzip beta-hairpin formation, structure and stability

Deposition date:

2009-07-14

Original release date:

2009-08-25

Authors:

Wu, Ling; McElheny, Dan; Huang, Rong; Keiderling, Timothy

Citation:

Citation: Wu, Ling; McElheny, Dan; Huang, Rong; Keiderling, Timothy. "Role of tryptophan-tryptophan interactions in Trpzip beta-hairpin formation, structure, and stability." Biochemistry 48, 10362-10371 (2009).
PubMed: 19788311

Assembly members:

Assembly members:
W2W11, polymer, 12 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):
W2W11: SWTVENGKVTWK

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
1H chemical shifts	86

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	monomer	1

Entities:

Entity 1, monomer 12 residues - Formula weight is not available

1

SER

TRP

THR

VAL

GLU

ASN

GLY

LYS

VAL

THR

2

TRP

LYS

Samples:

sample_1: W2W11 4 ± 0.1 mM; H2O 90%; D2O 10%

sample_conditions_1: ionic strength: 0.02 M; pH: 5.8; pressure: 1 atm; temperature: 281 K

Experiments:

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

Software:

NMRView v5.2.2_01, Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollm, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax, Guntert, Mumenthaler and Wuthrich, Johnson, One Moon Scientific - chemical shift assignment, data analysis, peak picking, refinement, structure solution

NMR spectrometers:

Bruker Avance 800 MHz