BMRB Entry 18350
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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/BMR18350
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Title: cathelicidin-PY PubMed: 23594231
Deposition date: 2012-03-27 Original release date: 2013-03-25
Authors: Yang, Juanjuan
Citation: Wei, Lin; Yang, Juanjuan; He, Xiaoqin; Mo, Guoxiang; Hong, Jing; Yan, Xiuwen; Lin, Donghai; Lai, Ren. "Structure and function of a potent lipopolysaccharide-binding antimicrobial and anti-inflammatory peptide" J. Med. Chem. 56, 3546-3556 (2013).
Assembly members:
entity, polymer, 29 residues, 3434.221 Da.
Natural source: Common Name: bullfrog Taxonomy ID: 8400 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Rana catesbeiana
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
entity: RKCNFLCKLKEKLRTVITSH
IDKVLRPQG
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 184 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | cathelicidin-PY | 1 |
Entities:
Entity 1, cathelicidin-PY 29 residues - 3434.221 Da.
| 1 | ARG | LYS | CYS | ASN | PHE | LEU | CYS | LYS | LEU | LYS | ||||
| 2 | GLU | LYS | LEU | ARG | THR | VAL | ILE | THR | SER | HIS | ||||
| 3 | ILE | ASP | LYS | VAL | LEU | ARG | PRO | GLN | GLY |
Samples:
sample_1: cathelicidin-PY mM; D2O, [U-2H], 10%; H2O 90%
sample_conditions_1: ionic strength: 0.0001 M; pH: 6.2; 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 |
Software:
SPARKY, Goddard - chemical shift assignment
NMR spectrometers:
- Bruker Avance 600 MHz