BMRB Entry 18146
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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/BMR18146
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Title: Insight into the antimicrobial activities based on the Structure-activity relationships of coprisin isolated from the Dung Beetle, Copris tripartitus PubMed: 23137439
Deposition date: 2011-12-16 Original release date: 2012-11-15
Authors: Kim, Yangmee; Kim, Jin-Kyoung; Lee, Eunjung
Citation: Lee, Eunjung; Kim, Jin-Kyoung; Shin, Soyoung; Jeong, Ki-Woong; Shin, Areum; Lee, Juneyoung; Lee, Dong Gun; Hwang, Jae-Sam; Kim, Yangmee. "Insight into the antimicrobial activities of coprisin isolated from the dung beetle, Copris tripartitus, revealed by structure-activity relationships." Biochim. Biophys. Acta 1828, 271-283 (2013).
Assembly members:
entity, polymer, 44 residues, 4482.301 Da.
Natural source: Common Name: Beetle Taxonomy ID: 438892 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Copris tripartitus
Experimental source: Production method: chemical synthesis Host organism: synthetic peptide
Entity Sequences (FASTA):
entity: VTCDVLSFEAKGIAVNHSAC
ALHCIALRKKGGSCQNGVCV
CRNX
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 271 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | coprisin | 1 |
Entities:
Entity 1, coprisin 44 residues - 4482.301 Da.
| 1 | VAL | THR | CYS | ASP | VAL | LEU | SER | PHE | GLU | ALA | ||||
| 2 | LYS | GLY | ILE | ALA | VAL | ASN | HIS | SER | ALA | CYS | ||||
| 3 | ALA | LEU | HIS | CYS | ILE | ALA | LEU | ARG | LYS | LYS | ||||
| 4 | GLY | GLY | SER | CYS | GLN | ASN | GLY | VAL | CYS | VAL | ||||
| 5 | CYS | ARG | ASN | NH2 |
Samples:
sample_1: entity 1 mM; H2O 90%; D2O 10%
conditions_1: ionic strength: 100 mM; pH: 4.3; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-1H NOESY | sample_1 | isotropic | conditions_1 |
| 2D 1H-1H TOCSY | sample_1 | isotropic | conditions_1 |
| 2D DQF-COSY | sample_1 | isotropic | conditions_1 |
Software:
CYANA v2.1, Guntert, Mumenthaler and Wuthrich - structure solution
NMR spectrometers:
- Bruker Avance 500 MHz