BMRB Entry 4997
Chem Shift validation: AVS_anomalous, AVS_full
BMRB Entry DOI: doi:10.13018/BMR4997
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Title: 1H, 13C Chemical Shift Assignment of PT-insulin in H2O and 35% TFE PubMed: 11524020
Deposition date: 2001-04-23 Original release date: 2001-05-21
Authors: Keller, Danielle; Clausen, R.; Josefsen, Knud; Led, Jens
Citation: Keller, Danielle; Clausen, R.; Josefsen, Knud; Led, Jens. "Flexibility and Bioactivity of Insulin: an NMR Investigation of the Solution Structure and Folding of an Unusually Flexible Human Insulin Mutant with Increased Biological Activity" Biochemistry 40, 10732-10740 (2001).
Assembly members:
Insulin, polymer, 21 residues, Formula weight is not available
Insulin, polymer, 30 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: recombinant technology Host organism: Pichia pastoris
Entity Sequences (FASTA):
Insulin: GIVEQCCTSICSLYQLENYC
N
Insulin: FVNQHLCGSHLVEALYLVCG
ERGFFYPTKT
| Data type | Count |
| 13C chemical shifts | 109 |
| 1H chemical shifts | 546 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | PT-insulin A chain | 1 |
| 2 | PT-insulin B chain | 2 |
Entities:
Entity 1, PT-insulin A chain 21 residues - Formula weight is not available
| 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, PT-insulin B chain 30 residues - Formula weight is not available
| 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 | PRO | THR | LYS | THR |
Samples:
sample_1: Insulin 2.8 mM; Insulin 2.8 mM; H2O 90%; D2O 10%
sample_2: Insulin 2.8 mM; Insulin 2.8 mM; H2O 65%; TFE 35%
cond_H2O: pH: 3.13; temperature: 298 K
cond_TFE: pH: 3.23; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| COSY with DQF | not available | not available | not available |
| TOCSY/NOESY with WaterGate | not available | not available | not available |
| HSQC: Gradient enhanced | not available | not available | not available |
Software:
NMRPipe - Fourier Transformation
XEASY - Cross peak integration, Resonance assignment
NMR spectrometers:
- Varian INOVA 500 MHz
- Varian INOVA 750 MHz
- Varian INOVA 800 MHz