BMRB Entry 6041

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PDB ID: 1qvk
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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Nicholas Rego and David Koes
3Dmol.js: molecular visualization with WebGL
Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title:

Structure of the antimicrobial hexapeptide cyc-(RRWWRF) bound to DPC and SDS micelles

Deposition date:

2003-12-11

Original release date:

2005-09-09

Authors:

Appelt, C.; Soumlderhaumlll, J.; Bienert, M.; Dathe, M.; Schmieder, P.

Citation:

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).
PubMed: 16075425

Assembly members:

Assembly members:
c-RW, polymer, 6 residues, Formula weight is not available

Natural source:

Natural source: Common Name: not available Taxonomy ID: not available Superkingdom: not available Kingdom: not available Genus/species: not available not available

Experimental source:

Experimental source: Production method: chemical synthesis

Entity Sequences (FASTA):

Entity Sequences (FASTA):
c-RW: RRWWRF

Data sets:

assigned_chemical_shifts
- chemical_shift_set_1
- chemical_shift_set_2

Data type	Count
1H chemical shifts	99

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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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

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