BMRB Entry 25260
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, SPARTA
BMRB Entry DOI: doi:10.13018/BMR25260
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Title: Solution structure of human insulin at pH 1.9 PubMed: 25423173
Deposition date: 2014-10-02 Original release date: 2014-12-08
Authors: Hexnerova, Rozalie; Krizkova, Kvetoslava; Maletinska, Lenka; Jiracek, Jiri; Brzozowski, Andrzej; Zakova, Lenka; Veverka, Vaclav
Citation: Krizkova, Kvetoslava; Veverka, Vaclav; Maletinska, Lenka; Hexnerova, Rozalie; Brzozowski, Andrzej; Jiracek, Jiri; Zakova, Lenka. "Structural and Functional Study of the GlnB22-Insulin Mutant Responsible for Maturity-Onset Diabetes of the Young" Plos ONE 9, e112883-e112883 (2014).
Assembly members:
entity_1, polymer, 21 residues, 2383.700 Da.
entity_2, polymer, 30 residues, 3433.981 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: GIVEQCCTSICSLYQLENYC
N
entity_2: FVNQHLCGSHLVEALYLVCG
ERGFFYTPKT
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 131 |
| 15N chemical shifts | 40 |
| 1H chemical shifts | 355 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | entity_1 | 1 |
| 2 | entity_2 | 2 |
Entities:
Entity 1, entity_1 21 residues - 2383.700 Da.
| 1 | GLY | ILE | VAL | GLU | GLN | CYS | CYS | THR | SER | ILE | ||||
| 2 | CYS | SER | LEU | TYR | GLN | LEU | GLU | ASN | TYR | CYS | ||||
| 3 | ASN |
Entity 2, entity_2 30 residues - 3433.981 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 | LYS | THR |
Samples:
sample_1: entity_1 4 mM; entity_2 4 mM; acetic acid, [U-99% 2H], 20%; H2O 95%; D2O, [U-99% 2H], 5%
sample_conditions_1: pH: 1.9; 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-1H NOESY | 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 |
Software:
TOPSPIN, Bruker Biospin - collection
SPARKY, Goddard - chemical shift assignment
CYANA, Guntert, Mumenthaler and Wuthrich - structure solution
Yasara, n/a - refinement
NMR spectrometers:
- Bruker Avance 600 MHz
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts