BMRB Entry 15318
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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/BMR15318
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Title: Antibacterial Peptide from Eggshell Matrix: Structure and Self-assembly of a - defensin Like Peptide from the Chinese Soft-shelled Turtle Eggshell PubMed: 18341335
Deposition date: 2007-06-20 Original release date: 2008-06-12
Authors: Vivekanandan, Subramanian; Lakshminarayanan, Rajamani; Jois, Seetharama; Perumalsamy, Ramar; Banerjee, Yajnavalka; Ooi Chi-Jin, Emma; Wah Teo, Kay; Kini, Manjunatha; Valiyaveettil, Suresh
Citation: Lakshminarayanan, Rajamani; Vivekanandan, Subramanian; Samy, Ramar; Banerjee, Yajnavalka; Ooi Chi-Jin, Emma; Wah Teo, Kay; Jois, Seetharama; Kini, R.; Valiyaveettil, Suresh. "Structure, self-assembly, and dual role of a beta-defensin-like peptide from the Chinese soft-shelled turtle eggshell matrix" J. Am. Chem. Soc. 130, 4660-4668 (2008).
Assembly members:
Pelovaterin, polymer, 42 residues, 4201.883 Da.
Natural source: Common Name: Pelodiscus sinensis Taxonomy ID: 13735 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Pelodiscus sinensis
Experimental source: Production method: purified from the natural source Host organism: Pelodiscus sinensis
Entity Sequences (FASTA):
Pelovaterin: DDTPSSRCGSGGWGPCLPIV
DLLCIVHVTVGCSGGFGCCR
IG
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 250 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | Pelovaterin | 1 |
Entities:
Entity 1, Pelovaterin 42 residues - 4201.883 Da.
| 1 | ASP | ASP | THR | PRO | SER | SER | ARG | CYS | GLY | SER | ||||
| 2 | GLY | GLY | TRP | GLY | PRO | CYS | LEU | PRO | ILE | VAL | ||||
| 3 | ASP | LEU | LEU | CYS | ILE | VAL | HIS | VAL | THR | VAL | ||||
| 4 | GLY | CYS | SER | GLY | GLY | PHE | GLY | CYS | CYS | ARG | ||||
| 5 | ILE | GLY |
Samples:
sample_1: Pelovaterin 1 mM; H2O 90%; D2O 10%
sample_conditions_1: pH: 4.5; pressure: 1 atm; temperature: 308 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 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 v2.1, P.GUNTERT ET AL. - refinement, structure solution
SPARKY v3.110, Goddard - data analysis, peak picking
NMR spectrometers:
- Bruker Avance 800 MHz
- Bruker Avance 500 MHz