BMRB Entry 30260
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR30260
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Title: Solution structure of arenicin-3 synthetic analog.
Deposition date: 2017-03-01 Original release date: 2018-07-31
Authors: Edwards, I.; Mobli, M.
Citation: Edwards, I.; Mobli, M.. "Solution structure of arenicin-3 synthetic analog." . ., .-..
Assembly members:
entity_1, polymer, 21 residues, 2559.013 Da.
Natural source: Common Name: lugworm Taxonomy ID: 6344 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Arenicola marina
Experimental source: Production method: chemical synthesis
Entity Sequences (FASTA):
entity_1: GFCWYVCARRNGARVCYRRC
N
- assigned_chemical_shifts
- spectral_peak_list
| Data type | Count |
| 13C chemical shifts | 61 |
| 15N chemical shifts | 23 |
| 1H chemical shifts | 137 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | entity_1 | 1 |
Entities:
Entity 1, entity_1 21 residues - 2559.013 Da.
| 1 | GLY | PHE | CYS | TRP | TYR | VAL | CYS | ALA | ARG | ARG | ||||
| 2 | ASN | GLY | ALA | ARG | VAL | CYS | TYR | ARG | ARG | CYS | ||||
| 3 | ASN |
Samples:
sample_1: AA139 2.5 mM
sample_conditions_1: pH: 3.3; pressure: 1 atm; temperature: 298 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 v3.0, Guntert P. - refinement
CcpNMR v2.4.1, CCPN - chemical shift assignment, peak picking, structure calculation
NMR spectrometers:
- Bruker AvanceIII 700 MHz
Download simulated HSQC data in one of the following formats:
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or all simulated shifts
SPARKY: Backbone
or all simulated shifts