BMRB Entry 34400
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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/BMR34400
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Title: RW16 peptide PubMed: 31505894
Deposition date: 2019-05-16 Original release date: 2019-10-21
Authors: Jobin, M.; Grelard, A.; Alves, I.; Mackereth, C.
Citation: Jobin, M.; Vamparys, L.; Deniau, R.; Grelard, A.; Mackereth, C.; Fuchs, P.; Alves, I.. "Biophysical Insight on the Membrane Insertion of an Arginine-Rich Cell-Penetrating Peptide." Int. J. Mol. Sci. 20, E4441-E4441 (2019).
Assembly members:
entity_1, polymer, 18 residues, 3032.639 Da.
Natural source: Common Name: not available Taxonomy ID: 32630 Superkingdom: not available Kingdom: not available Genus/species: synthetic construct
Experimental source: Production method: chemical synthesis
Entity Sequences (FASTA):
entity_1: XXRRWRRWWRRWWRRWRR
- assigned_chemical_shifts
- spectral_peak_list
| Data type | Count |
| 13C chemical shifts | 30 |
| 1H chemical shifts | 146 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | entity_1 | 1 |
Entities:
Entity 1, entity_1 18 residues - 3032.639 Da.
| 1 | BTN | KFB | ARG | ARG | TRP | ARG | ARG | TRP | TRP | ARG | ||||
| 2 | ARG | TRP | TRP | ARG | ARG | TRP | ARG | ARG |
Samples:
sample_1: RW16 peptide 1 mM; DPC, [U-100% 2H], 60 mM; sodium phosphate 50 mM
sample_conditions_1: ionic strength: 50 mM; pH: 5.5; pressure: 1 atm; temperature: 310 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-1H NOESY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC | sample_1 | isotropic | sample_conditions_1 |
Software:
TopSpin v3.2, Bruker Biospin - collection
NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
Sparky v3.113, Goddard - data analysis
CNS v1.1, Brunger, Adams, Clore, Gros, Nilges and Read - structure calculation
ARIA v1.2, Linge, O'Donoghue and Nilges - structure calculation
NMR spectrometers:
- Bruker AVANCE III 800 MHz