BMRB Entry 34559
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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/BMR34559
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Title: Capra hircus Cathelicidin-1 PubMed: 34484167
Deposition date: 2020-09-10 Original release date: 2021-09-07
Authors: Myshkin, M.; Mironov, P.; Shenkarev, Z.
Citation: Bolosov, Ilia; Panteleev, Pavel; Sychev, Sergei; Sukhanov, Stanislav; Mironov, Pavel; Myshkin, Mikhail Yu; Shenkarev, Zakhar; Ovchinnikova, Tatiana. "Dodecapeptide Cathelicidins of Cetartiodactyla: Structure, Mechanism of Antimicrobial Action, and Synergistic Interaction With Other Cathelicidins" Front. Microbiol. 12, 725526-725526 (2021).
Assembly members:
entity_1, polymer, 12 residues, 1508.920 Da.
Natural source: Common Name: goat Taxonomy ID: 9925 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Capra hircus
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
entity_1: RICQFVLIRVCR
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 42 |
| 15N chemical shifts | 15 |
| 1H chemical shifts | 102 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | unit_1 | 1 |
| 2 | unit_2 | 1 |
Entities:
Entity 1, unit_1 12 residues - 1508.920 Da.
| 1 | ARG | ILE | CYS | GLN | PHE | VAL | LEU | ILE | ARG | VAL | ||||
| 2 | CYS | ARG |
Samples:
sample_1: Capra hircus Catelicidin-1 0.43 mM
sample_2: Capra hircus Catelicidin-1, [U-15N], 0.2 mM
sample_conditions_1: ionic strength: 0.01 mM; pH: 4.0; pressure: 1 atm; temperature: 303 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-1H NOESY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-15N HSQC | sample_2 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC | sample_1 | isotropic | sample_conditions_1 |
Software:
CYANA v3.98.13, Guntert, Mumenthaler and Wuthrich - refinement, structure calculation
TopSpin, Bruker Biospin - collection
CARA, Keller and Wuthrich - chemical shift assignment, peak picking
NMR spectrometers:
- Bruker AVANCE 700 MHz
Download HSQC peak lists in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts