BMRB Entry 51962
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR51962
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Title: 1H Chemical Shift Assignments for amyloidogenic SEM1(86-107) peptide in solution with dodecylphosphocholine micelles
Deposition date: 2023-05-15 Original release date: 2023-05-18
Authors: Blokhin, Dmitriy; Sanchugova, Daria
Citation: Blokhin, Dmitriy; Sanchugova, Daria. "Spatial structure of the fibril-forming SEM1(86-107) peptide in a complex with dodecylphosphocholine micelles" Russian Chemical Bulletin 70, 2422-2426 (2022).
Assembly members:
entity_1, polymer, 22 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):
entity_1: DLNALHKTTKSQRHLGGSQQ
LL
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 143 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | SEM1(86-107) peptide | 1 |
Entities:
Entity 1, SEM1(86-107) peptide 22 residues - Formula weight is not available
| 1 | ASP | LEU | ASN | ALA | LEU | HIS | LYS | THR | THR | LYS | ||||
| 2 | SER | GLN | ARG | HIS | LEU | GLY | GLY | SER | GLN | GLN | ||||
| 3 | LEU | LEU |
Samples:
sample_1: SEM1(86-107) peptide 0.9 mM
sample_conditions_1: pH: 3.2; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-1H TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H ROESY | sample_1 | isotropic | sample_conditions_1 |
Software:
NMRFAM-SPARKY v1.470 - chemical shift assignment
NMR spectrometers:
- Bruker Avance 700 MHz