BMRB Entry 30657
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR30657
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Title: Solution Structure of a Heat-Resistant Long-Acting Insulin Analog
Deposition date: 2019-08-23 Original release date: 2020-08-21
Authors: Yang, Y.; Weiss, M.
Citation: Weiss, M.; Yang, Y.. "Solution Structure of a Heat-Resistant Long-Acting Insulin Analog" . ., .-..
Assembly members:
entity_1, polymer, 59 residues, 6787.704 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: Komagataella phaffii GS115
Entity Sequences (FASTA):
entity_1: FVNQHLCGSHLVEALYLVCG
ERGFFYTPRTEEGSRRSRGI
VEQCCRSICSLYQLENYCG
- assigned_chemical_shifts
| Data type | Count |
| 15N chemical shifts | 60 |
| 1H chemical shifts | 396 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | entity_1 | 1 |
Entities:
Entity 1, entity_1 59 residues - 6787.704 Da.
| 1 | PHE | VAL | ASN | GLN | HIS | LEU | CYS | GLY | SER | HIS | ||||
| 2 | LEU | VAL | GLU | ALA | LEU | TYR | LEU | VAL | CYS | GLY | ||||
| 3 | GLU | ARG | GLY | PHE | PHE | TYR | THR | PRO | ARG | THR | ||||
| 4 | GLU | GLU | GLY | SER | ARG | ARG | SER | ARG | GLY | ILE | ||||
| 5 | VAL | GLU | GLN | CYS | CYS | ARG | SER | ILE | CYS | SER | ||||
| 6 | LEU | TYR | GLN | LEU | GLU | ASN | TYR | CYS | GLY |
Samples:
sample_1: insulin, [U-99% 15N], 1 mM
sample_2: Single-chain insulin 1 mM
sample_conditions_2: ionic strength: 0 mM; pH: 3.4; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 3D 1H-15N NOESY | sample_1 | isotropic | sample_conditions_2 |
| 3D 1H-15N TOCSY | sample_1 | isotropic | sample_conditions_2 |
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_2 |
| 2D 1H-1H TOCSY | sample_2 | anisotropic | sample_conditions_2 |
| 2D 1H-1H NOESY | sample_2 | anisotropic | sample_conditions_2 |
Software:
NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - chemical shift assignment
PIPP, Garrett - data analysis
TopSpin, Bruker Biospin - collection
X-PLOR NIH, Schwieters, Kuszewski, Tjandra and Clore - refinement, structure calculation
NMR spectrometers:
- Bruker AVANCE 700 MHz
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts