BMRB Entry 30784
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR30784
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Title: NMR Solution Structure of plant defensin SlD26 PubMed: 32847065
Deposition date: 2020-08-04 Original release date: 2020-09-07
Authors: Harvey, P.; Craik, D.
Citation: Bleackley, M.; Vasa, S.; Harvey, P.; Shafee, T.; Kerenga, B.; Soares da Costa, T.; Craik, D.; Lowe, R.; Anderson, M.. "Histidine-Rich Defensins from theSolanaceaeandBrasicaceaeAre Antifungal and Metal Binding Proteins." J. Fungi (Basel) 6, .-. (2020).
Assembly members:
entity_1, polymer, 46 residues, 5444.244 Da.
Natural source: Common Name: Tomato Taxonomy ID: 4081 Superkingdom: Eukaryota Kingdom: Viridiplantae Genus/species: Solanum lycopersicum
Experimental source: Production method: recombinant technology Host organism: Komagataella pastoris
Entity Sequences (FASTA):
entity_1: AKHCGKHSKSWNGKCFHKKC
NHWCMEKEDAKYGSCSHGDC
YCYYHC
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 93 |
| 15N chemical shifts | 39 |
| 1H chemical shifts | 265 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | unit_1 | 1 |
Entities:
Entity 1, unit_1 46 residues - 5444.244 Da.
| 1 | ALA | LYS | HIS | CYS | GLY | LYS | HIS | SER | LYS | SER | ||||
| 2 | TRP | ASN | GLY | LYS | CYS | PHE | HIS | LYS | LYS | CYS | ||||
| 3 | ASN | HIS | TRP | CYS | MET | GLU | LYS | GLU | ASP | ALA | ||||
| 4 | LYS | TYR | GLY | SER | CYS | SER | HIS | GLY | ASP | CYS | ||||
| 5 | TYR | CYS | TYR | TYR | HIS | CYS |
Samples:
sample_1: peptide 1.0 mg/mL
sample_2: peptide 1.0 mg/mL
sample_conditions_1: pH: 4.0; pressure: 1 atm; temperature: 298 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 |
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC aliphatic | sample_2 | isotropic | sample_conditions_1 |
| 2D 1H-1H ECOSY | sample_2 | isotropic | sample_conditions_1 |
Software:
TopSpin, Bruker Biospin - processing
CcpNmr Analysis, CCPN - chemical shift assignment
CYANA, Guntert, Mumenthaler and Wuthrich - structure calculation
CNS, Brunger, Adams, Clore, Gros, Nilges and Read - refinement
NMR spectrometers:
- Bruker AVANCE III HD 600 MHz
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts