BMRB Entry 30558
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR30558
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Title: NMR structure of WW295
Deposition date: 2019-01-10 Original release date: 2020-07-13
Authors: Wang, G.; Zarena, D.
Citation: Wang, G.; Zarena, D.. "NMR Structure of WW295" . ., .-..
Assembly members:
entity_1, polymer, 9 residues, 1273.551 Da.
Natural source: Common Name: not available Taxonomy ID: 32630 Superkingdom: not available Kingdom: not available Genus/species: not available not available
Experimental source: Production method: chemical synthesis
Entity Sequences (FASTA):
entity_1: RKIWWWWLX
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 46 |
| 15N chemical shifts | 10 |
| 1H chemical shifts | 79 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | entity_1 | 1 |
Entities:
Entity 1, entity_1 9 residues - 1273.551 Da.
| 1 | ARG | LYS | ILE | TRP | TRP | TRP | TRP | LEU | NH2 |
Samples:
sample_1: WW295 3.0 ± 0.1 mM
sample_conditions_1: pH: 5.8; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-1H NOESY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 2D DQF-COSY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC | sample_1 | isotropic | sample_conditions_1 |
Software:
NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - data analysis
Xplor-NIH, Schwieters, Kuszewski, Tjandra and Clore - refinement, structure calculation
PIPP, Garrett - chemical shift assignment, peak picking
NMR spectrometers:
- Bruker Avance 600 MHz
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts