BMRB Entry 30876
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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/BMR30876
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Title: Solution NMR structure of an avian defensin, AvBD3, from mallard
Deposition date: 2021-03-10 Original release date: 2021-08-09
Authors: Rosengren, K.; Andersson, H.
Citation: Helin, A.; Chapman, J.; Tolf, C.; Aarts, L.; Bususu, I.; Rosengren, K.; Andersson, H.; Waldenstrom, J.. "Relation between structure and function of three avian beta-defensin 3b variants from mallard (Anas platyrhynchos)" .
Assembly members:
entity_1, polymer, 37 residues, 4187.849 Da.
Natural source: Common Name: Mallard Taxonomy ID: 8839 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Anas platyrhynchos
Experimental source: Production method: chemical synthesis
Entity Sequences (FASTA):
entity_1: GNSWLCVRRGGNCRFGRCQF
AERQIGRCSAFQPCCGR
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 94 |
| 15N chemical shifts | 34 |
| 1H chemical shifts | 236 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | unit_1 | 1 |
Entities:
Entity 1, unit_1 37 residues - 4187.849 Da.
| 1 | GLY | ASN | SER | TRP | LEU | CYS | VAL | ARG | ARG | GLY | ||||
| 2 | GLY | ASN | CYS | ARG | PHE | GLY | ARG | CYS | GLN | PHE | ||||
| 3 | ALA | GLU | ARG | GLN | ILE | GLY | ARG | CYS | SER | ALA | ||||
| 4 | PHE | GLN | PRO | CYS | CYS | GLY | ARG |
Samples:
sample_1: AvBD3 2 mg/mL
sample_2: AvBD3 2 mg/mL
sample_conditions_1: ionic strength: 0 mM; 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-1H TOCSY | sample_2 | isotropic | sample_conditions_1 |
| 2D 1H-1H NOESY | sample_2 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC aliphatic | sample_2 | isotropic | sample_conditions_1 |
Software:
TopSpin v3.1, Bruker Biospin - collection, processing
CARA, Keller and Wuthrich - chemical shift assignment
CYANA v3.9, Guntert, Mumenthaler and Wuthrich - structure calculation
CNS v1.2, Brunger, Adams, Clore, Gros, Nilges and Read - refinement
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