BMRB Entry 34349
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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/BMR34349
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NMR-STAR v3 text file.
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Title: [41-82]Gga-AvBD11 PubMed: 31871151
Deposition date: 2019-01-08 Original release date: 2019-12-13
Authors: Meudal, H.; Loth, K.; Delmas, A.; Landon, C.
Citation: Guyot, N.; Meudal, H.; Trapp, S.; Iochmann, S.; Silvestre, A.; Jousset, G.; Labas, V.; Reverdiau, P.; Loth, K.; Herve, V.; Aucagne, V.; Delmas, A.; Rehault-Godbert, S.; Landon, C.. "Structure, function, and evolution of Gga-AvBD11, the archetype of a structural avian-double-beta-defensin family" Proc. Natl. Acad. Sci. U.S.A. 117, 337-345 (2020).
Assembly members:
entity_1, polymer, 42 residues, 4788.552 Da.
Natural source: Common Name: Chicken Taxonomy ID: 9031 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Gallus gallus
Experimental source: Production method: chemical synthesis
Entity Sequences (FASTA):
entity_1: DTTSDFHTCQDKGGHCVSPK
IRCLEEQLGLCPLKRWTCCK
EI
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 139 |
| 15N chemical shifts | 39 |
| 1H chemical shifts | 287 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | entity_1 | 1 |
Entities:
Entity 1, entity_1 42 residues - 4788.552 Da.
| 1 | ASP | THR | THR | SER | ASP | PHE | HIS | THR | CYS | GLN | ||||
| 2 | ASP | LYS | GLY | GLY | HIS | CYS | VAL | SER | PRO | LYS | ||||
| 3 | ILE | ARG | CYS | LEU | GLU | GLU | GLN | LEU | GLY | LEU | ||||
| 4 | CYS | PRO | LEU | LYS | ARG | TRP | THR | CYS | CYS | LYS | ||||
| 5 | GLU | ILE |
Samples:
sample_1: [41-82]Gga-AvBD11 1.4 mM
sample_conditions_1: ionic strength: 0 mM; pH: 4.5; 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_1 | isotropic | sample_conditions_1 |
Software:
CNS, Brunger, Adams, Clore, Gros, Nilges and Read - refinement
ARIA, Linge, O'Donoghue and Nilges - structure calculation
CcpNmr Analysis, CCPN - chemical shift assignment, peak picking
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