BMRB Entry 35041
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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/BMR35041
MolProbity Validation Chart
NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
XML gzip file.
RDF gzip file.
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Citation: Santoro, A.; Macis, M.; Buonocore, M.; Ricci, A.; D'Ursi, A.M.. "Conformational determinants of glucagon stability and aggregation kinetics in aqueous and commercial formulations.
" Protein Sci. 35, e70750-e70750 (2026).
PubMed: 42557738
Assembly members:
entity_1, polymer, 29 residues, 3486.781 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: HSQGTFTSDYSKYLDSRRAQ
DFVQWLMNT
- assigned_chemical_shifts
- spectral_peak_list
| Data type | Count |
| 1H chemical shifts | 159 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | unit_1 | 1 |
Entities:
Entity 1, unit_1 29 residues - 3486.781 Da.
| 1 | HIS | SER | GLN | GLY | THR | PHE | THR | SER | ASP | TYR | ||||
| 2 | SER | LYS | TYR | LEU | ASP | SER | ARG | ARG | ALA | GLN | ||||
| 3 | ASP | PHE | VAL | GLN | TRP | LEU | MET | ASN | THR |
Samples:
sample_1: entity_1 mM; H2O 90%; D2O, [U-99% 2H], 10%; HCl 0.04 M
sample_conditions_1: ionic strength: 0.2 Not defined; pH: 2.5; pressure: 1 atm; temperature: 300 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 |
Software:
Sparky, Goddard - chemical shift assignment
CYANA, Guntert, Mumenthaler and Wuthrich - structure calculation
XEASY, Bartels et al. - peak picking
NMR spectrometers:
- Bruker AVANCE 600 MHz