BMRB Entry 36148
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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/BMR36148
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Title: solution structure of G2,7,13A SMAP-18 analogue
Deposition date: 2018-01-03 Original release date: 2019-01-03
Authors: Jung, B.; Lee, C.
Citation: Jung, B.; Lee, C.. "solution structure of G2,7,13A SMAP-18 analogue" .
Assembly members:
G2,7,13A SMAP-18 analogue, polymer, 18 residues, 2115.617 Da.
Natural source: Common Name: sheep Taxonomy ID: 9940 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Ovis aries
Experimental source: Production method: chemical synthesis
Entity Sequences (FASTA):
G2,7,13A SMAP-18 analogue: RALRRLARKIAHAVKKYG
- assigned_chemical_shifts
- spectral_peak_list
| Data type | Count |
| 1H chemical shifts | 131 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | entity_1 | 1 |
Entities:
Entity 1, entity_1 18 residues - 2115.617 Da.
| 1 | ARG | ALA | LEU | ARG | ARG | LEU | ALA | ARG | LYS | ILE | ||||
| 2 | ALA | HIS | ALA | VAL | LYS | LYS | TYR | GLY |
Samples:
sample_1: protein solution 2.0 mM; sodium chloride 50 mM; sodium phosphate 10 mM; TFE, [U-2H], 50 % v/v; H2O 40 % v/v; D2O, [U-2H], 10 % v/v
sample_conditions_1: ionic strength: 50 mM; pH: 6.0; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-1H TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 2D DQF-COSY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H NOESY | sample_1 | isotropic | sample_conditions_1 |
Software:
CYANA, Guntert, Mumenthaler and Wuthrich - refinement, structure calculation
NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
NMRView, Johnson, One Moon Scientific - chemical shift assignment, peak picking
NMR spectrometers:
- Bruker Avance 600 MHz