BMRB Entry 6388
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR6388
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Title: NMR structure of the synthetic penaeidin 4 PubMed: 15699044
Deposition date: 2004-11-15 Original release date: 2008-07-16
Authors: Cuthbertson, B.; Yang, Y.; Bullesbach, E.; Bachere, E.; Gross, P.; Aumelas, A.
Citation: Cuthbertson, B.; Yang, Y.; Bachere, E.; Bullesbach, E.; Gross, P.; Aumelas, A.. "Solution structure of synthetic penaeidin-4 with structural and functional comparisons to penaeidin-3" J. Biol. Chem. 280, 16009-16018 (2005).
Assembly members:
penaeidin-4, polymer, 47 residues, 5297.2 Da.
Natural source: Common Name: white shrimp Taxonomy ID: 64468 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Litopenaeus setiferus
Experimental source: Production method: chemical synthesis
Entity Sequences (FASTA):
penaeidin-4: HSSGYTRPLRKPSRPIFIRP
IGCDVCYGIPSSTARLCCFR
YGDCCHX
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 280 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | penaeidin-4 | 1 |
Entities:
Entity 1, penaeidin-4 47 residues - 5297.2 Da.
| 1 | HIS | SER | SER | GLY | TYR | THR | ARG | PRO | LEU | ARG | ||||
| 2 | LYS | PRO | SER | ARG | PRO | ILE | PHE | ILE | ARG | PRO | ||||
| 3 | ILE | GLY | CYS | ASP | VAL | CYS | TYR | GLY | ILE | PRO | ||||
| 4 | SER | SER | THR | ALA | ARG | LEU | CYS | CYS | PHE | ARG | ||||
| 5 | TYR | GLY | ASP | CYS | CYS | HIS | NLW |
Samples:
sample_1: penaeidin-4 1 mM; H2O 95%; D2O 5%
sample_2: penaeidin-4 1 mM; D2O 99.98%
sample_cond_1: pH: 3.6; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| DQF-COSY | not available | not available | sample_cond_1 |
| TOCSY | not available | not available | sample_cond_1 |
| NOESY | not available | not available | sample_cond_1 |
Software:
X-PLOR v3.8 - refinement, structure solution
XWINNMR v3.1 - collection, processing
GIFA v4 - processing
Insight vInsight97 - structure solution
NMR spectrometers:
- Bruker AVANCE 500 MHz
- Bruker AVANCE 600 MHz
Related Database Links:
| PDB | |
| GenBank | AAK83455.1 AAK77540.1 AAX58699.1 ABA55000.1 |
| SWISS-PROT | Q962A7 Q95NT0 |