BMRB Entry 26050
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, SPARTA
BMRB Entry DOI: doi:10.13018/BMR26050
MolProbity Validation Chart
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NMR-STAR v3 text file.
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Citation: Bera, Swapna; Kar, Rajiv; Mondal, Susanta; Pahan, Kalipada; Bhunia, Anirban. "Structural Elucidation of the Cell-Penetrating Penetratin Peptide in Model Membranes at the Atomic Level: Probing Hydrophobic Interactions in the Blood-Brain Barrier" Biochemistry 55, 4982-4996 (2016).
PubMed: 27532224
Assembly members:
CELL_PENETRATING_PEPTIDES, polymer, 17 residues, 2368.891 Da.
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):
CELL_PENETRATING_PEPTIDES: DRQIKIWFQNRRMKWKK
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 116 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | DK17 IN POPC:POPG:CHOLESTEROL:GM1 LUVS | 1 |
Entities:
Entity 1, DK17 IN POPC:POPG:CHOLESTEROL:GM1 LUVS 17 residues - 2368.891 Da.
| 1 | ASP | ARG | GLN | ILE | LYS | ILE | TRP | PHE | GLN | ASN | ||||
| 2 | ARG | ARG | MET | LYS | TRP | LYS | LYS |
Samples:
DK17_MIXEDLIPIDS: CELL PENETRATING PEPTIDES 0.5 mM; H2O 90%; D2O 10%; DSS 0.5 mM
sample_conditions_1: ionic strength: 10 mM; pH: 4.5; pressure: 1 atm; temperature: 288 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-1H TOCSY | DK17_MIXEDLIPIDS | isotropic | sample_conditions_1 |
| 2D 1H-1H NOESY | DK17_MIXEDLIPIDS | isotropic | sample_conditions_1 |
Software:
CYANA v2.1, Guntert, Mumenthaler and Wuthrich - structure solution
NMR spectrometers:
- Bruker Avance 500 MHz