BMRB Entry 51228
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR51228
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Title: Sidechain chemical shift assignments of fully protonated SH3 of chicken alpha-spectrin through 5D and 4D experiments PubMed: 35147439
Deposition date: 2021-12-13 Original release date: 2022-02-22
Authors: Klein, Alexander; Vasa, Suresh; Soldner, Benedikt; Grohe, Kristof; Linser, Rasmus
Citation: Klein, Alexander; Vasa, Suresh; Soldner, Benedikt; Grohe, Kristof; Linser, Rasmus. "Unambiguous Side-Chain Assignments for Solid-State NMR Structure Elucidation of Nondeuterated Proteins via a Combined 5D/4D Side-Chain-to-Backbone Experiment" J. Phys. Chem. Lett. 13, 1644-1651 (2022).
Assembly members:
entity_1, polymer, 62 residues, 7200 Da.
Natural source: Common Name: chicken Taxonomy ID: 9031 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Gallus gallus
Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pET3d
Entity Sequences (FASTA):
entity_1: MDETGKELVLALYDYQEKSP
REVTMKKGDILTLLNSTNKD
WWKVEVNDRQGFVPAAYVKK
LD
- assigned_chemical_shifts
Data type | Count |
13C chemical shifts | 209 |
15N chemical shifts | 51 |
1H chemical shifts | 303 |
Additional metadata:
Assembly:
Entity Assembly ID | Entity Name | Entity ID |
---|---|---|
1 | SH3 | 1 |
Entities:
Entity 1, SH3 62 residues - 7200 Da.
1 | MET | ASP | GLU | THR | GLY | LYS | GLU | LEU | VAL | LEU | ||||
2 | ALA | LEU | TYR | ASP | TYR | GLN | GLU | LYS | SER | PRO | ||||
3 | ARG | GLU | VAL | THR | MET | LYS | LYS | GLY | ASP | ILE | ||||
4 | LEU | THR | LEU | LEU | ASN | SER | THR | ASN | LYS | ASP | ||||
5 | TRP | TRP | LYS | VAL | GLU | VAL | ASN | ASP | ARG | GLN | ||||
6 | GLY | PHE | VAL | PRO | ALA | ALA | TYR | VAL | LYS | LYS | ||||
7 | LEU | ASP |
Samples:
sample_1: SH3 of chicken alpha-spectrin, [U-100% 13C; U-100% 15N], 1 mg
sample_conditions_1: pH: 8; temperature: 298 K
Experiments:
Name | Sample | Sample state | Sample conditions |
---|---|---|---|
5D HCCNH | sample_1 | isotropic | sample_conditions_1 |
4D HCCH | sample_1 | isotropic | sample_conditions_1 |
Software:
TOPSPIN v4.1.1 - collection
CcpNMR v3 - chemical shift assignment
SSA - processing
CYANA v3.98.13 - chemical shift assignment
NMR spectrometers:
- Bruker AVANCE NEO 700 MHz
Related Database Links:
PDB |
Download HSQC peak lists in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts