BMRB Entry 6168

Click here to enlarge.

PDB ID: 1skl
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR6168
MolProbity Validation Chart

NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
XML gzip file.
RDF gzip file.
All files associated with the entry

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

Select model:

I am color blind

Download raw data. Direct link to this display. Help

Title:

Structures of antimicrobial hexapeptides bound to DPC micelles

Deposition date:

2004-04-02

Original release date:

2008-07-17

Authors:

Appelt, C.; Soderhall, 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:
cyclic hexapeptide RR(NAL)(NAL)RF, 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):
cyclic hexapeptide RR(NAL)(NAL)RF: RRXXRF

Data sets:

assigned_chemical_shifts
- chemical_shift_set_1

Data type	Count
1H chemical shifts	52

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
Hide all

Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	cyclic hexapeptide RR(NAL)(NAL)RF	1

Entities:

Entity 1, cyclic hexapeptide RR(NAL)(NAL)RF 6 residues - Formula weight is not available

1

ARG

NAL

ARG

PHE

Samples:

sample_1: cyclic hexapeptide RR(NAL)(NAL)RF 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