BMRB Entry 54000
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR54000
NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
All files associated with the entry
Citation: Nordina, Nurdiana; Choi, Joonhyeok; Lee, Jihyeon; Kim, Eun-Hee; Ryu, Eun Kyoung; Ryu, Kyoung-Seok; Lee, Donghan; Hwang, Eunha; Bang, Jeong Kyu; Cheong, Hae-Kap. "Ensemble-Based Segmental Helical Organization in an Aib-Rich Lipidated Peptide: Biomacromolecular Insights from High-Field NMR
" Biomacromolecules ., .-..
Assembly members:
entity_1, polymer, 39 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: YXEGTFTSDYSIXLDKIAQK
AFVQWLIAGGPSSGAPPPS
- assigned_chemical_shifts
- spectral_peak_list
| Data type | Count |
| 13C chemical shifts | 6 |
| 15N chemical shifts | 35 |
| 1H chemical shifts | 172 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | TZP | 1 |
Entities:
Entity 1, TZP 39 residues - Formula weight is not available
Peptide-only 39-residue model of tirzepatide; Aib (AIB) at residues 2 and 13
| 1 | TYR | AIB | GLU | GLY | THR | PHE | THR | SER | ASP | TYR | ||||
| 2 | SER | ILE | AIB | LEU | ASP | LYS | ILE | ALA | GLN | LYS | ||||
| 3 | ALA | PHE | VAL | GLN | TRP | LEU | ILE | ALA | GLY | GLY | ||||
| 4 | PRO | SER | SER | GLY | ALA | PRO | PRO | PRO | SER |
Samples:
sample_1: Tirzepatide (TZP) 30 mg/mL; H2O 70%; Acetonitrile, [U-2H], 30%
sample_conditions_1: pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HMQC | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H NOESY | sample_1 | isotropic | sample_conditions_1 |
Software:
POKY - chemical shift assignment
NMR spectrometers:
- Bruker AVANCE NEO 1200 MHz
Download HSQC peak lists in one of the following formats:
CSV: Backbone
or all simulated peaks
SPARKY: Backbone
or all simulated peaks