BMRB Entry 17108
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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/BMR17108
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Title: NMR STRUCTURE OF HUMAN INSULIN MUTANT ILE-A2-LEU, VAL-A3-LEU 2 HIS-B10-ASP, PRO-B28-LYS, LYS-B29-PRO, 20 STRUCTURES
Deposition date: 2010-08-09 Original release date: 2012-08-02
Authors: Wan, Z.; Hua, Q.; Huang, K.; Hu, S.; Philips, N.; Katsoyannis, J.; Weiss, M.
Citation: Wan, Z.; Hua, Q.; Huang, K.; Hu, S.; Philips, N.; Whittaker, J.; Katsoyannis, P.; Weiss, M.. "Chiral Protein Engineering and its Application in G Health" J. Biol. Chem. ., .-..
Assembly members:
entity_1, polymer, 21 residues, 2434.771 Da.
Human Insulin, polymer, 30 residues, 3410.921 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: Escherichia coli
Entity Sequences (FASTA):
entity_1: GLLEQCCHSICSLYQLENYC
N
Human Insulin: FVNQHLCGSDLVEALYLVCG
ERGFFYTKPT
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 347 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | Human Insulin Mutant, 1 | 1 |
| 2 | Human Insulin Mutant, 2 | 2 |
Entities:
Entity 1, Human Insulin Mutant, 1 21 residues - 2434.771 Da.
| 1 | GLY | LEU | LEU | GLU | GLN | CYS | CYS | HIS | SER | ILE | ||||
| 2 | CYS | SER | LEU | TYR | GLN | LEU | GLU | ASN | TYR | CYS | ||||
| 3 | ASN |
Entity 2, Human Insulin Mutant, 2 30 residues - 3410.921 Da.
| 1 | PHE | VAL | ASN | GLN | HIS | LEU | CYS | GLY | SER | ASP | |
| 2 | LEU | VAL | GLU | ALA | LEU | TYR | LEU | VAL | CYS | GLY | |
| 3 | GLU | ARG | GLY | PHE | PHE | TYR | THR | LYS | PRO | THR |
Samples:
sample_1: entity_1 0.5 mM; D2O 10%; H2O 90%
sample_conditions_1: ionic strength: 0 mM; pH: 7.0; pressure: . mbar; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D TOCSY | sample_1 | isotropic | sample_conditions_1 |
| NOESY | sample_1 | isotropic | sample_conditions_1 |
| COSY | sample_1 | isotropic | sample_conditions_1 |
Software:
X-PLOR v3.5, Brunger - structure solution
NMR spectrometers:
- BRUKER DRX 700 MHz