BMRB Entry 30291
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full
BMRB Entry DOI: doi:10.13018/BMR30291
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Title: Structure of a Turripeptide from Unedogemmula bisaya venom PubMed: 29090914
Deposition date: 2017-05-09 Original release date: 2017-11-08
Authors: Daly, N.; Imperial, J.
Citation: Omaga, Carla; Carpio, Louie; Imperial, Julita; Daly, Norelle; Gajewiak, Joanna; Flores, Malem; Espino, Samuel; Christensen, Sean; Filchakova, Olena; Lopez-Vera, Estuardo; Raghuraman, Shrinivasan; Olivera, Baldomero; Concepcion, Gisela. "Structure and Biological Activity of a Turripeptide from Unedogemmula bisaya Venom." Biochemistry 56, 6051-6060 (2017).
Assembly members:
entity_1, polymer, 18 residues, 1807.174 Da.
Natural source: Common Name: Unedogemmula bisaya Taxonomy ID: 746885 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Unedogemmula bisaya
Experimental source: Production method: chemical synthesis
Entity Sequences (FASTA):
entity_1: DCCXCXAGAVRCRFACCX
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 25 |
| 15N chemical shifts | 16 |
| 1H chemical shifts | 80 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | entity_1 | 1 |
Entities:
Entity 1, entity_1 18 residues - 1807.174 Da.
| 1 | ASP | CYS | CYS | HYP | CYS | HYP | ALA | GLY | ALA | VAL | ||||
| 2 | ARG | CYS | ARG | PHE | ALA | CYS | CYS | NH2 |
Samples:
sample_1: ubi3a, [U-13C; U-15N], 1.5 mM
sample_conditions_1: ionic strength: 0 mM; pH: 5; pressure: 1 atm; temperature: 290 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D DQF-COSY | 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 |
| 2D 1H-13C HSQC | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
Software:
CYANA, Guntert, Mumenthaler and Wuthrich - refinement, structure calculation
CcpNMR, CCPN - chemical shift assignment
TOPSPIN, Bruker Biospin - collection
NMR spectrometers:
- Bruker Avance 600 MHz
Download HSQC peak lists in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts