BMRB Entry 31279
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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/BMR31279
MolProbity Validation Chart
NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
All files associated with the entry
Citation: Schroder, R.; Hamada, N.; Nepomuceno, P.; Li, M.; Tucker, T.; Templeton, A.; Wuelfing, W.; Liu, G.; Su, Y.; Ling, J.. "Investigating the Molecular Mechanism of Liraglutide Oligomerization
" .
Assembly members:
entity_1, polymer, 31 residues, 3387.713 Da.
entity_PLM, non-polymer, 256.424 Da.
entity_GGL, non-polymer, 147.129 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: HAEGTFTSDVSSYLEGQAAK
EFIAWLVRGRG
- assigned_chemical_shifts
- spectral_peak_list
| Data type | Count |
| 13C chemical shifts | 116 |
| 1H chemical shifts | 227 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | unit_1 | 1 |
| 2 | unit_2 | 2 |
| 3 | unit_3 | 3 |
Entities:
Entity 1, unit_1 31 residues - 3387.713 Da.
| 1 | HIS | ALA | GLU | GLY | THR | PHE | THR | SER | ASP | VAL | ||||
| 2 | SER | SER | TYR | LEU | GLU | GLY | GLN | ALA | ALA | LYS | ||||
| 3 | GLU | PHE | ILE | ALA | TRP | LEU | VAL | ARG | GLY | ARG | ||||
| 4 | GLY |
Entity 2, unit_2 - C16 H32 O2 - 256.424 Da.
| 1 | PLM |
Entity 3, unit_3 - C5 H9 N O4 - 147.129 Da.
| 1 | GGL |
Samples:
sample_1: unit_1 mM; sodium phosphate 10 mM
sample_conditions_1: ionic strength: 25 mM; pH: 7.4; pressure: 1 atm; temperature: 308 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-1H TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H NOESY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC | sample_1 | isotropic | sample_conditions_1 |
Software:
NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
CYANA v3.98, GUNTERT, MUMENTHALER AND WUTHRICH - structure calculation
NMRFAM-SPARKY, Lee W., Tonelli M., Markley J.L. - chemical shift assignment, peak picking
TALOS-N, Shen, Y., Bax, A. - geometry optimization
NMR spectrometers:
- Bruker AVANCE III 800 MHz