BMRB Entry 52356
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR52356
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Title: 1H, 13C, and 15N Chemical Shift Assignments for amyloidogenic SEM2(49-107) peptide
Deposition date: 2024-03-18 Original release date: 2024-03-20
Authors: Troshkina, Anastasia; Blokhin, Dmitriy; Vasilyevich, Vladimir
Citation: Troshkina, Anastasia; Blokhin, Dmitriy; Vasilyevich, Vladimir. "The investigation of SEM2(49-107) by NMR spectroscopy" Bionanoscience ., .-..
Assembly members:
entity_1, polymer, 59 residues, 6855.5693 Da.
Natural source: Common Name: Human Taxonomy ID: 9606 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Homo sapiens
Experimental source: Production method: recombinant technology Host organism: E. coli - cell free Vector: pET-GB1
Entity Sequences (FASTA):
entity_1: FGQKDQQHTKSKGSFSIQHT
YHVDINDHDWTRKSQQYDLN
ALHKATKSKQHLGGSQQLL
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 142 |
| 15N chemical shifts | 48 |
| 1H chemical shifts | 137 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | SEM2(49-107) | 1 |
Entities:
Entity 1, SEM2(49-107) 59 residues - 6855.5693 Da.
| 1 | PHE | GLY | GLN | LYS | ASP | GLN | GLN | HIS | THR | LYS | ||||
| 2 | SER | LYS | GLY | SER | PHE | SER | ILE | GLN | HIS | THR | ||||
| 3 | TYR | HIS | VAL | ASP | ILE | ASN | ASP | HIS | ASP | TRP | ||||
| 4 | THR | ARG | LYS | SER | GLN | GLN | TYR | ASP | LEU | ASN | ||||
| 5 | ALA | LEU | HIS | LYS | ALA | THR | LYS | SER | LYS | GLN | ||||
| 6 | HIS | LEU | GLY | GLY | SER | GLN | GLN | LEU | LEU |
Samples:
sample_1: SEM2(49-107), [U-100% 15N;U-100% 13C], 0.49 mM
sample_conditions_1: pH: 7.4; pressure: 1 atm; temperature: 293 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC/HMQC | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCO | sample_1 | isotropic | sample_conditions_1 |
| HN(Ca)CO (H[N[ca[CO]]]) | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCA | sample_1 | isotropic | sample_conditions_1 |
| 3D HN(CO)CA | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCACB | sample_1 | isotropic | sample_conditions_1 |
| 3D CBCA(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| CC(CO)NH (C_coNH.relayed) | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-15N NOESY | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-15N TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 3D H(CCO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D HBHA(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D HBHA(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| HNHAHB (H{ca|cca}NH) | sample_1 | isotropic | sample_conditions_1 |
| HNHA (H{[N]+[HA]}) | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-15N HSQC/HMQC | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-15N HSQC/HMQC | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-15N HSQC/HMQC | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-15N HSQC/HMQC | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-15N HSQC/HMQC | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-15N HSQC/HMQC | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-15N HSQC/HMQC | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-15N HSQC/HMQC | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-15N HSQC/HMQC | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-15N HSQC/HMQC | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-15N HSQC/HMQC | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-15N HSQC/HMQC | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-15N HSQC/HMQC | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-15N HSQC/HMQC | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-15N HSQC/HMQC | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-15N HSQC/HMQC | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-15N HSQC/HMQC | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-15N HSQC/HMQC | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-15N HSQC/HMQC | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-15N HSQC/HMQC | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-15N HSQC/HMQC | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-15N HSQC/HMQC | sample_1 | isotropic | sample_conditions_1 |
| HETNOE1 | sample_1 | isotropic | sample_conditions_1 |
| HETNOE2 | sample_1 | isotropic | sample_conditions_1 |
Software:
CcpNmr Analysis v2.5 - chemical shift assignment
DANGLE v1.1 - chemical shift assignment
NMR spectrometers:
- Bruker AVANCE III 700 MHz
Download HSQC peak lists in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts