BMRB Entry 51673
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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/BMR51673
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Title: 1H, 13C, and 15N Chemical Shift Assignments for amyloidogenic SEM1(45-67) peptide PubMed: 37240295
Deposition date: 2022-10-27 Original release date: 2022-11-02
Authors: Blokhin, Dmitriy; Osetrina, Daria; Yulmetov, Aydar
Citation: Osetrina, Daria; Kusova, Aleksandra; Bikmullin, Aydar; Klochkova, Evelina; Yulmetov, Aydar; Semenova, Evgenia; Mukhametzyanov, Timur; Usachev, Konstantin; Klochkov, Vladimir; Blokhin, Dmitriy. "Extent of N-Terminus Folding of Semenogelin 1 Cleavage Product Determines Tendency to Amyloid Formation" Int. J. Mol. Sci. 24, 8949-8949 (2023).
Assembly members:
entity_1, polymer, 23 residues, 2576.7781 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: GQHYSGQKGKQQTESKGSFS
IQY
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 99 |
| 15N chemical shifts | 23 |
| 1H chemical shifts | 116 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | SEM1(45-67) peptide | 1 |
Entities:
Entity 1, SEM1(45-67) peptide 23 residues - 2576.7781 Da.
| 1 | GLY | GLN | HIS | TYR | SER | GLY | GLN | LYS | GLY | LYS | ||||
| 2 | GLN | GLN | THR | GLU | SER | LYS | GLY | SER | PHE | SER | ||||
| 3 | ILE | GLN | TYR |
Samples:
sample_1: SEM1(45-67) 0.8 mM
sample_conditions_1: pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H ROESY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H NOESY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HMBC | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC-TOCSY | sample_1 | isotropic | sample_conditions_1 |
Software:
CcpNmr Analysis v2.5 - 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