BMRB Entry 17500
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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/BMR17500
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Title: Papiliocin PubMed: 21965682
Deposition date: 2011-03-01 Original release date: 2011-11-03
Authors: Kim, Yangmee; Kim, Jin-Kyoung
Citation: Kim, Jin-Kyoung; Lee, Eunjung; Shin, Soyoung; Jeong, Ki-woong; Lee, Jee-Young; Bae, Su-Young; Kim, Soo-Hyun; Lee, Juneyoung; Kim, Seong Ryul; Lee, Dong Gun; Hwang, Jae-Sam; Kim, Yangmee. "Structure and function of papiliocin with antimicrobial and anti-inflammatory activities isolated from the swallowtail butterfly, Papilio xuthus." J. Biol. Chem. 286, 41296-41311 (2011).
Assembly members:
papiliocin, polymer, 38 residues, 4010.906 Da.
Natural source: Common Name: butterfly Taxonomy ID: 66420 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Papilio xuthus
Experimental source: Production method: chemical synthesis
Entity Sequences (FASTA):
papiliocin: RWKIFKKIEKVGRNVRDGII
KAGPAVAVVGQAATVVKX
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 278 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | papiliocin | 1 |
Entities:
Entity 1, papiliocin 38 residues - 4010.906 Da.
| 1 | ARG | TRP | LYS | ILE | PHE | LYS | LYS | ILE | GLU | LYS | ||||
| 2 | VAL | GLY | ARG | ASN | VAL | ARG | ASP | GLY | ILE | ILE | ||||
| 3 | LYS | ALA | GLY | PRO | ALA | VAL | ALA | VAL | VAL | GLY | ||||
| 4 | GLN | ALA | ALA | THR | VAL | VAL | LYS | NH2 |
Samples:
sample_1: papiliocin 1 mM; H2O 90%; D2O 10%
sample_conditions_1: pH: 5.5; 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 DQF-COSY | sample_1 | isotropic | sample_conditions_1 |
Software:
CYANA, Guntert, Mumenthaler and Wuthrich - structure solution
NMR spectrometers:
- Bruker Avance 500 MHz