BMRB Entry 30314
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR30314
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Title: Solution Structure and Dynamics of an Ultra-Stable Single-Chain Insulin Analog STUDIES OF AN ENGINEERED MONOMER AND IMPLICATIONS FOR RECEPTOR BINDING
Deposition date: 2017-06-29 Original release date: 2017-11-08
Authors: Glidden, M.; Yang, Y.; Wickramasinghe, N.; Weiss, M.
Citation: Glidden, M.; Yang, Y.; Smith, N.; Phillips, N.; Wickramasinghe, N.; Ismail-Beigi, F.; Lawrence, M.; Smith, B.; Weiss, M.. "Solution Structure and Dynamics of an Ultra-Stable Single-Chain Insulin Analog STUDIES OF AN ENGINEERED MONOMER AND IMPLICATIONS FOR RECEPTOR BINDING" . ., .-..
Assembly members:
Insulin, polymer, 57 residues, 6515.308 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: Pichia
Entity Sequences (FASTA):
Insulin: FVNQHLCGSHLVEALYLVCG
ERGFFYTDPTEEGPRRGIVE
QCCHSICSLEQLENYCN
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 205 |
| 15N chemical shifts | 48 |
| 1H chemical shifts | 299 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | entity_1 | 1 |
Entities:
Entity 1, entity_1 57 residues - 6515.308 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 | ASP | PRO | THR | ||||
| 4 | GLU | GLU | GLY | PRO | ARG | ARG | GLY | ILE | VAL | GLU | ||||
| 5 | GLN | CYS | CYS | HIS | SER | ILE | CYS | SER | LEU | GLU | ||||
| 6 | GLN | LEU | GLU | ASN | TYR | CYS | ASN |
Samples:
sample_1: Single chain insulin SCI-b, [U-13C; U-15N], 1 mM
sample_conditions_1: ionic strength: 0 M; pH: 7.4; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 4D Time-shared NOESY | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCA | sample_1 | isotropic | sample_conditions_1 |
| 3D CBCA(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCO | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCACB | sample_1 | isotropic | sample_conditions_1 |
| 3D HN(CO)CA | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-15N TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 3D H(CCO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D HCC-TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC aromatic | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 3D (H)CC(CO)NH | sample_1 | isotropic | sample_conditions_1 |
Software:
TOPSPIN - structure solution
X-PLOR, BRUNGER - refinement, structure solution
SPARKY - structure solution
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