BMRB Entry 34667
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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/BMR34667
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Title: NMR solution structure of BCR4 PubMed: 36293341
Deposition date: 2021-09-20 Original release date: 2022-09-21
Authors: Loth, K.; Paquet, F.
Citation: Loth, Karine; Parisot, Nicolas; Paquet, Francoise; Terrasson, Hugo; Sivignon, Catherine; Rahioui, Isabelle; Ribeiro Lopes, Melanie; Gaget, Karen; Duport, Gabrielle; Delmas, Agnes; Aucagne, Vincent; Heddi, Abdelaziz; Calevro, Federica; da Silva, Pedro. "Aphid BCR4 Structure and Activity Uncover a New Defensin Peptide Superfamily" Int. J. Mol. Sci. 23, 12480-12480 (2022).
Assembly members:
entity_1, polymer, 50 residues, 5905.645 Da.
Natural source: Common Name: Bees Taxonomy ID: 7459 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Apis not available
Experimental source: Production method: chemical synthesis
Entity Sequences (FASTA):
entity_1: DFDPTEFKGPFPTIEICSKY
CAVVCNYTSRPCYCVEAAKE
RDQWFPYCYD
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 142 |
| 15N chemical shifts | 32 |
| 1H chemical shifts | 334 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | unit_1 | 1 |
Entities:
Entity 1, unit_1 50 residues - 5905.645 Da.
| 1 | ASP | PHE | ASP | PRO | THR | GLU | PHE | LYS | GLY | PRO | |
| 2 | PHE | PRO | THR | ILE | GLU | ILE | CYS | SER | LYS | TYR | |
| 3 | CYS | ALA | VAL | VAL | CYS | ASN | TYR | THR | SER | ARG | |
| 4 | PRO | CYS | TYR | CYS | VAL | GLU | ALA | ALA | LYS | GLU | |
| 5 | ARG | ASP | GLN | TRP | PHE | PRO | TYR | CYS | TYR | ASP |
Samples:
sample_1: BCR4, unlabelled, 0.6 mM
sample_conditions_1: ionic strength: 0 Not defined; pH: 4.8; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 2D NOESY | sample_1 | isotropic | sample_conditions_1 |
| so-fast HMQC | sample_1 | isotropic | sample_conditions_1 |
| 13C-HSQC | sample_1 | isotropic | sample_conditions_1 |
Software:
CcpNmr Analysis, CCPN - chemical shift assignment, peak picking
ARIA, Linge, O'Donoghue and Nilges - structure calculation
NMR spectrometers:
- Bruker AVANCE III HD 700 MHz
Download HSQC peak lists in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts