BMRB Entry 30536
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR30536
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Title: Solution structure of gomesin at 310K
Deposition date: 2018-11-01 Original release date: 2019-10-30
Authors: Chin, Y.; Deplazes, E.
Citation: Deplazes, E.; Chin, Y.; Mancera, R.; King, G.. "Revisiting the solution structure of the spider peptide Gomesin" . ., .-..
Assembly members:
entity_1, polymer, 19 residues, 2279.762 Da.
Natural source: Common Name: Acanthoscurria gomesiana Taxonomy ID: 115339 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Acanthoscurria gomesiana
Experimental source: Production method: chemical synthesis
Entity Sequences (FASTA):
entity_1: XCRRLCYKQRCVTYCRGRX
- assigned_chemical_shifts
- spectral_peak_list
| Data type | Count |
| 13C chemical shifts | 57 |
| 15N chemical shifts | 24 |
| 1H chemical shifts | 135 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | entity_1 | 1 |
Entities:
Entity 1, entity_1 19 residues - 2279.762 Da.
| 1 | PCA | CYS | ARG | ARG | LEU | CYS | TYR | LYS | GLN | ARG | ||||
| 2 | CYS | VAL | THR | TYR | CYS | ARG | GLY | ARG | NH2 |
Samples:
sample_1: Gomesin 1.4 mM; D2O 5%
sample_conditions_1: pH: 3.5; pressure: 1 atm; temperature: 310 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H NOESY | sample_1 | isotropic | sample_conditions_1 |
Software:
CYANA, Guntert, Mumenthaler and Wuthrich - chemical shift assignment, refinement, structure calculation
Analysis, CCPN - chemical shift assignment, peak picking
TOPSPIN, Bruker Biospin - collection, processing
TALOS, Cornilescu, Delaglio and Bax; TALOSn version - geometry optimization
NMR spectrometers:
- Bruker AvanceIII 600 MHz
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts