BMRB Entry 16399
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR16399
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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:
W4W9, polymer, 12 residues, Formula weight is not available
Natural source: Common Name: not available Taxonomy ID: not available Superkingdom: not available Kingdom: not available Genus/species: not available not available
Experimental source: Production method: chemical synthesis
Entity Sequences (FASTA):
W4W9: SVTWENGKWTVK
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 82 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | monomer | 1 |
Entities:
Entity 1, monomer 12 residues - Formula weight is not available
| 1 | SER | VAL | THR | TRP | GLU | ASN | GLY | LYS | TRP | THR | ||||
| 2 | VAL | LYS |
Samples:
sample_1: W4W9 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, Johnson, One Moon Scientific - chemical shift assignment
NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
AMBER, Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollm - refinement, structure solution
NMR spectrometers:
- Bruker Avance 800 MHz