BMRB Entry 25609
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR25609
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Title: NMR solution structure of RsAFP2 PubMed: 26592804
Deposition date: 2015-05-12 Original release date: 2016-05-23
Authors: Harvey, Peta; Craik, David; Vriens, Kim
Citation: Vriens, Kim; Cools, Tanne; Harvey, Peta; Craik, David; DeConinck, Barbara; Cammue, Bruno; Thevissen, Karin. "The radish defensins RsAFP1 and RsAFP2 act synergistically with caspofungin against Candida albicans biofilms" peptides 75, 71-79 (2016).
Assembly members:
entity, polymer, 51 residues, 5744.706 Da.
Natural source: Common Name: radish Taxonomy ID: 3726 Superkingdom: Eukaryota Kingdom: Viridiplantae Genus/species: Raphanus sativus
Experimental source: Production method: recombinant technology Host organism: Pichia pastoris
Entity Sequences (FASTA):
entity: QKLCQRPSGTWSGVCGNNNA
CKNQCIRLEKARHGSCNYVF
PAHKCICYFPC
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 142 |
| 15N chemical shifts | 51 |
| 1H chemical shifts | 347 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | entity | 1 |
Entities:
Entity 1, entity 51 residues - 5744.706 Da.
| 1 | GLN | LYS | LEU | CYS | GLN | ARG | PRO | SER | GLY | THR | ||||
| 2 | TRP | SER | GLY | VAL | CYS | GLY | ASN | ASN | ASN | ALA | ||||
| 3 | CYS | LYS | ASN | GLN | CYS | ILE | ARG | LEU | GLU | LYS | ||||
| 4 | ALA | ARG | HIS | GLY | SER | CYS | ASN | TYR | VAL | PHE | ||||
| 5 | PRO | ALA | HIS | LYS | CYS | ILE | CYS | TYR | PHE | PRO | ||||
| 6 | CYS |
Samples:
sample_1: entity 1 mM; H2O 90%; D2O, [U-2H], 10%
sample_2: entity 1 mM; D2O, [U-2H], 100%
sample_conditions_1: pH: 4; 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 | sample_2 | isotropic | sample_conditions_1 |
| 2D E-COSY | sample_2 | isotropic | sample_conditions_1 |
Software:
TOPSPIN v2.1, Bruker Biospin - collection
CcpNMR, CCPN - chemical shift assignment, peak picking
CNS, Brunger, Adams, Clore, Gros, Nilges and Read - refinement
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