BMRB Entry 17798
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, SPARTA
BMRB Entry DOI: doi:10.13018/BMR17798
MolProbity Validation Chart
NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
XML gzip file.
RDF gzip file.
All files associated with the entry
Citation: Derache, Chrystelle; Meudal, Herve; Aucagne, Vincent; Mark, Kevin; Cadene, Martine; Delmas, Agnes; Lalmanach, Anne-Christine; Landon, Celine. "Initial insights into structure-activity relationships of avian defensins" J. Biol. Chem. 287, 7746-7755 (2012).
PubMed: 22205704
Assembly members:
entity, polymer, 36 residues, 3869.558 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: LFCKGGSCHFGGCPSHLIKV
GSCFGFRSCCAWPWNA
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 226 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | chicken_AvBD2-K31A_mutant | 1 |
Entities:
Entity 1, chicken_AvBD2-K31A_mutant 36 residues - 3869.558 Da.
| 1 | LEU | PHE | CYS | LYS | GLY | GLY | SER | CYS | HIS | PHE | ||||
| 2 | GLY | GLY | CYS | PRO | SER | HIS | LEU | ILE | LYS | VAL | ||||
| 3 | GLY | SER | CYS | PHE | GLY | PHE | ARG | SER | CYS | CYS | ||||
| 4 | ALA | TRP | PRO | TRP | ASN | ALA |
Samples:
sample_1: chicken AvBD2-K31A mutant 2.4 mM; H2O 90%; D2O 10%
sample_2: chicken AvBD2-K31A mutant 2.4 mM; D2O 100%
sample_conditions_1: ionic strength: 0 M; pH: 4.1; pressure: 1 atm; temperature: 293 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-1H COSY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H NOESY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H COSY | sample_2 | isotropic | sample_conditions_1 |
| 2D 1H-1H TOCSY | sample_2 | isotropic | sample_conditions_1 |
| 2D 1H-1H NOESY | sample_2 | isotropic | sample_conditions_1 |
Software:
NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
NMRView, Johnson, One Moon Scientific - chemical shift assignment, peak picking
ARIA v1.1, Linge, O'Donoghue and Nilges - structure solution
NMR spectrometers:
- Varian INOVA 600 MHz