BMRB Entry 31030
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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/BMR31030
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Title: Site 2 insulin receptor binding peptide IM459N21
Deposition date: 2022-06-28 Original release date: 2022-11-04
Authors: Lawrence, M.; Hu, H.; Martinez, F.; Espinosa, J.
Citation: Lawrence, M.; Hu, H.; Martinez, F.; Espinosa, J.. "Site 2 insulin receptor binding peptide IM459N21" .
Assembly members:
entity_1, polymer, 22 residues, 2630.088 Da.
Natural source: Common Name: not available Taxonomy ID: 32630 Superkingdom: not available Kingdom: not available Genus/species: synthetic construct
Experimental source: Production method: chemical synthesis
Entity Sequences (FASTA):
entity_1: XSLEQEWXKIECEVYGKCPP
KX
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 84 |
| 1H chemical shifts | 163 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | unit_1 | 1 |
Entities:
Entity 1, unit_1 22 residues - 2630.088 Da.
| 1 | BVK | SER | LEU | GLU | GLN | GLU | TRP | AIB | LYS | ILE | ||||
| 2 | GLU | CYS | GLU | VAL | TYR | GLY | LYS | CYS | PRO | PRO | ||||
| 3 | LYS | LYN |
Samples:
sample_1: Tris, [U-2H], 20 mM; sodium chloride 100 mM; peptide 0.75 mM
sample_conditions_1: ionic strength: 100 mM; pH: 7.4; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-1H COSY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H NOESY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H NOESY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC aliphatic | sample_1 | isotropic | sample_conditions_1 |
Software:
GROMACS v5.0.7, Mark Abraham, Berk Hess, David van der Spoel, and Erik Lindahl - refinement, structure calculation
CcpNmr Analysis v2, CCPN - chemical shift assignment, peak picking
NMR spectrometers:
- Bruker AVANCE III 600 MHz