BMRB Entry 18538
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR18538
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Title: 1H and 13C NMR of GPVI mimetic
Deposition date: 2012-06-20 Original release date: 2012-12-21
Authors: Gnanagurunathan, Nimalta; Guenin, Erwann; Herve du Penhoat, Catherine
Citation: Gnanagurunathan, Nimalta; Guenin, Erwann; Herve du Penhoat, Catherine. "1H and 13C NMR of GPVI mimetic" Not known ., .-..
Assembly members:
GPVI_peptide_mimetic, polymer, 23 residues, 2302.8 Da.
Natural source: Common Name: not available Taxonomy ID: not available Superkingdom: not available Kingdom: not available Genus/species: not available not available
Experimental source: Production method: chemical synthesis
Entity Sequences (FASTA):
GPVI_peptide_mimetic: SGSGCGPRFMHGLQLWADEG
PCX
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 57 |
| 1H chemical shifts | 131 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | GPVI peptide mimetic | 1 |
Entities:
Entity 1, GPVI peptide mimetic 23 residues - 2302.8 Da.
X is a cysteine residue with the carboxyl hydroxyl group replaced by the NH2 moiety
| 1 | SER | GLY | SER | GLY | CYS | GLY | PRO | ARG | PHE | MET | ||||
| 2 | HIS | GLY | LEU | GLN | LEU | TRP | ALA | ASP | GLU | GLY | ||||
| 3 | PRO | CYS | NH2 |
Samples:
sample_1: GPVI peptide mimetic 3 mM; H2O 93%; D2O, [U-100% 2H], 7%; sodium chloride 50 mM; sodium phosphate 20 mM; sodium azide 5 uM
sample_conditions_1: ionic strength: 70 mM; pH: 5.4; pressure: 1 atm; temperature: 273 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-13C HSQC | sample_1 | isotropic | sample_conditions_1 |
| 2D DQF-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 |
Software:
DYANA vversion 1.5, Bartels et al., Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax, Guntert, Guntert, Braun and Wuthrich, Koradi, Billeter and Wuthrich - chemical shift assignment, chemical shift assignment, peak picking, processing, refinement, structure solution
NMR spectrometers:
- Varian UnityPlus 500 MHz