BMRB Entry 34414
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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/BMR34414
MolProbity Validation Chart
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NMR-STAR v3 text file.
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Citation: De Luca, S.; Verdoliva, V.; Saviano, M.; Fattorusso, R.; Diana, D.. "SPR and NMR characterization of the molecular interaction between A9 peptide
and a model system of HER2 receptor: A fragment approach for selecting peptide
structures specific for their target" J. Pept. Sci. 26, e3231-e3231 (2019).
PubMed: 31749266
Assembly members:
entity_1, polymer, 9 residues, 1003.065 Da.
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):
entity_1: QDVNTAVAW
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 58 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | entity_1 | 1 |
Entities:
Entity 1, entity_1 9 residues - 1003.065 Da.
| 1 | GLN | ASP | VAL | ASN | THR | ALA | VAL | ALA | TRP |
Samples:
sample_1: A9 PEPTIDE 1 mM
sample_conditions_1: ionic strength: 1 mM; pH: 6.8; pressure: 1 atm; temperature: 298 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-1H COSY | sample_1 | isotropic | sample_conditions_1 |
Software:
VNMR, Varian - collection
CARA, Keller and Wuthrich - chemical shift assignment
CYANA, Guntert, Mumenthaler and Wuthrich - structure calculation
NMR spectrometers:
- Varian INOVA 600 MHz