BMRB Entry 30408
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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/BMR30408
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Title: peptide PaAMP1R3
Deposition date: 2018-02-14 Original release date: 2019-03-01
Authors: Alves, E.; Liao, L.
Citation: Alves, E.; Liao, L.. "Synthetic peptide PaAMP1R3" To be Published ., .-..
Assembly members:
peptide PaAMP1R3, polymer, 19 residues, 2305.013 Da.
Natural source: Common Name: not available Taxonomy ID: 32630 Superkingdom: not available Kingdom: not available Genus/species: not available not available
Experimental source: Production method: chemical synthesis
Entity Sequences (FASTA):
peptide PaAMP1R3: PMARNKKLLKKLRLKIAFK
- assigned_chemical_shifts
- spectral_peak_list
| Data type | Count |
| 13C chemical shifts | 76 |
| 15N chemical shifts | 19 |
| 1H chemical shifts | 150 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | entity_1 | 1 |
Entities:
Entity 1, entity_1 19 residues - 2305.013 Da.
| 1 | PRO | MET | ALA | ARG | ASN | LYS | LYS | LEU | LEU | LYS | ||||
| 2 | LYS | LEU | ARG | LEU | LYS | ILE | ALA | PHE | LYS |
Samples:
sample_1: PaAMP1R3 2 mM; DPC-d38, [U-98% 13C], 200 mM; D2O, [U-99% 2H], 10%; H2O 90%; DSS 5%; sodium phosphate buffer 1 mM
sample_conditions_1: ionic strength: 1 mM; pH: 7; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-1H TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H NOESY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-15N HMQC | sample_1 | isotropic | sample_conditions_1 |
Software:
NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
X-PLOR NIH, Schwieters, Kuszewski, Tjandra and Clore - refinement, structure calculation
NMRView, Johnson, One Moon Scientific - chemical shift assignment, peak picking
TALOS, Cornilescu, Delaglio and Bax - geometry optimization
NMR spectrometers:
- Bruker Avance 500 MHz
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts