BMRB Entry 6170
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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/BMR6170
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Title: Structures of antimicrobial hexapeptides bound to DPC micelles PubMed: 16075425
Deposition date: 2004-04-02 Original release date: 2005-09-09
Authors: Appelt, C.; Soderhall, J.; Bienert, M.; Dathe, M.; Schmieder, P.
Citation: Appelt, C.; Wessolowski, A.; Soderhall, J.; Dathe, M.; Schmieder, P.. "Structure of the Antimicrobial, Cationic Hexapeptide Cyclo(RRWWRF) and Its Analogues in Solution and Bound to Detergent Micelles" ChemBioChem 6, 1654-1662 (2005).
Assembly members:
cyclic hexapeptide RRYYRF, polymer, 6 residues, Formula weight is not available
Natural source: Common Name: not available Taxonomy ID: not available Superkingdom: not available Kingdom: not available Genus/species: not available not available
Experimental source: Production method: chemical synthesis
Entity Sequences (FASTA):
cyclic hexapeptide RRYYRF: RRYYRF
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 51 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | cyclic hexapeptide RRYYRF | 1 |
Entities:
Entity 1, cyclic hexapeptide RRYYRF 6 residues - Formula weight is not available
| 1 | ARG | ARG | TYR | TYR | ARG | PHE |
Samples:
sample_1: cyclic hexapeptide RRYYRF 2.5 mM; D38 dodecyl phosphocholine 50 mM; H2O 90%; D2O 10%
sample_cond_1: pH: 6.3; pressure: 1 atm; temperature: 300 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D NOESY | sample_1 | not available | sample_cond_1 |
| 2D TOCSY | sample_1 | not available | sample_cond_1 |
| DQF-COSY | sample_1 | not available | sample_cond_1 |
Software:
xwinnmr v2.6 - collection
SPARKY v3.1 - data analysis
AMBER v6 - structure solution, refinement
NMR spectrometers:
- Bruker DRX 600 MHz