BMRB Entry 16522
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR16522
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Title: A Doppel alpha-helix Peptide Fragment Mimics the Copper(II) Interactions with the whole Protein PubMed: 20411530
Deposition date: 2009-09-28 Original release date: 2010-04-26
Authors: Isernia, Carla; La Mendola, Diego; Magri', Antonio
Citation: La Mendola, Diego; Magri, Antonio; Campagna, Tiziana; Campitiello, Maria Anna; Raiola, Luca; Isernia, Carla; Hansson, Orjan; Bonomo, Raffaele; Rizzarelli, Enrico. "A Doppel alpha-Helix Peptide Fragment Mimics the Copper(II) Interactions with the Whole Protein." Chemistry 16, 6212-6223 (2010).
Assembly members:
hDpl(122-139), polymer, 18 residues, Formula weight is not available
Natural source: Common Name: Human Taxonomy ID: 9606 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Homo sapiens
Experimental source: Production method: chemical synthesis
Entity Sequences (FASTA):
hDpl(122-139): KPDNKLHQQVLWRLVQEL
- assigned_chemical_shifts
- coupling_constants
| Data type | Count |
| 1H chemical shifts | 314 |
| coupling constants | 29 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | hDpl(122-139) | 1 |
Entities:
Entity 1, hDpl(122-139) 18 residues - Formula weight is not available
| 1 | LYS | PRO | ASP | ASN | LYS | LEU | HIS | GLN | GLN | VAL | ||||
| 2 | LEU | TRP | ARG | LEU | VAL | GLN | GLU | LEU |
Samples:
sample_1: hDpl(122-139) 1.2 mM; H2O 90%; D2O 10%
sample_conditions_1: pH: 4.0; pressure: 1 atm; temperature: 300 K
sample_conditions_2: pH: 5.5; pressure: 1 atm; temperature: 300 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-1H TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H NOESY | sample_1 | isotropic | sample_conditions_1 |
| 2D DQF-COSY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H TOCSY | sample_1 | isotropic | sample_conditions_2 |
| 2D 1H-1H NOESY | sample_1 | isotropic | sample_conditions_2 |
| 2D DQF-COSY | sample_1 | isotropic | sample_conditions_2 |
Software:
CYANA v2.1, Guntert, Mumenthaler and Wuthrich - chemical shift assignment
VNMRJ, Varian - processing
NMR spectrometers:
- Varian INOVA 500 MHz