BMRB Entry 6041
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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/BMR6041
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Title: Structure of the antimicrobial hexapeptide cyc-(RRWWRF) bound to DPC and SDS micelles PubMed: 16075425
Deposition date: 2003-12-11 Original release date: 2005-09-09
Authors: Appelt, C.; Soumlderhaumlll, 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:
c-RW, 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):
c-RW: RRWWRF
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 99 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | c-RW | 1 |
Entities:
Entity 1, c-RW 6 residues - Formula weight is not available
| 1 | ARG | ARG | TRP | TRP | ARG | PHE |
Samples:
sample_1: c-RW 2.5 mM; DPC, [U-2H], 50 mM; H2O 90%; D2O 10%
sample_2: c-RW 2.5 mM; SDS, [U-2H], 25 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 | not available | not available | not available |
| 2D TOCSY | not available | not available | not available |
| DQF-COSY | not available | not available | not available |
Software:
xwinnmr v2.6 - collection
SPARKY v3.1 - data analysis
AMBER v6 - refinement, structure solution
NMR spectrometers:
- Bruker DRX 600 MHz