BMRB Entry 50139
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR50139
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Title: Backbone 1H,13C, and 15N Chemical Shift Assignments for the S. typhimurium tryptophan synthase alpha subunit PubMed: 32415580
Deposition date: 2019-12-20 Original release date: 2020-06-09
Authors: Mueller, Leonard; Sakhrani, Varun
Citation: Sakhrani, Varun; Hilario, Eduardo; Caulkins, Bethany; Hatcher-Skeers, Mary; Fan, Li; Dunn, Michael; Mueller, Leonard. "Backbone Assignments and Conformational Dynamics in the S. Typhimurium Tryptophan Synthase alpha-Subunit From Solution-State NMR" J. Biomol. NMR 74, 341-354 (2020).
Assembly members:
entity_1, polymer, 268 residues, 28500 Da.
Natural source: Common Name: Salmonella typhimurium Taxonomy ID: 28901 Superkingdom: Bacteria Kingdom: not available Genus/species: Salmonella enterica
Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pEBA-10
Entity Sequences (FASTA):
entity_1: MERYENLFAQLNDRREGAFV
PFVTLGDPGIEQSLKIIDTL
IDAGADALELGVPFSDPLAD
GPTIQNANLRAFAAGVTPAQ
CFEMLALIREKHPTIPIGLL
MYANLVFNNGIDAFYARCEQ
VGVDSVLVADVPVEESAPFR
QAALRHNIAPIFICPPNADD
DLLRQVASYGRGYTYLLSRS
GVTGAENRGALPLHHLIEKL
KEYHAAPALQGFGISSPEQV
SAAVRAGAAGAISGSAIVKI
IEKNLASPKQMLAELRSFVS
AMKAASRA
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 634 |
| 15N chemical shifts | 233 |
| 1H chemical shifts | 233 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | TS_alpha_subunit | 1 |
Entities:
Entity 1, TS_alpha_subunit 268 residues - 28500 Da.
| 1 | MET | GLU | ARG | TYR | GLU | ASN | LEU | PHE | ALA | GLN | ||||
| 2 | LEU | ASN | ASP | ARG | ARG | GLU | GLY | ALA | PHE | VAL | ||||
| 3 | PRO | PHE | VAL | THR | LEU | GLY | ASP | PRO | GLY | ILE | ||||
| 4 | GLU | GLN | SER | LEU | LYS | ILE | ILE | ASP | THR | LEU | ||||
| 5 | ILE | ASP | ALA | GLY | ALA | ASP | ALA | LEU | GLU | LEU | ||||
| 6 | GLY | VAL | PRO | PHE | SER | ASP | PRO | LEU | ALA | ASP | ||||
| 7 | GLY | PRO | THR | ILE | GLN | ASN | ALA | ASN | LEU | ARG | ||||
| 8 | ALA | PHE | ALA | ALA | GLY | VAL | THR | PRO | ALA | GLN | ||||
| 9 | CYS | PHE | GLU | MET | LEU | ALA | LEU | ILE | ARG | GLU | ||||
| 10 | LYS | HIS | PRO | THR | ILE | PRO | ILE | GLY | LEU | LEU | ||||
| 11 | MET | TYR | ALA | ASN | LEU | VAL | PHE | ASN | ASN | GLY | ||||
| 12 | ILE | ASP | ALA | PHE | TYR | ALA | ARG | CYS | GLU | GLN | ||||
| 13 | VAL | GLY | VAL | ASP | SER | VAL | LEU | VAL | ALA | ASP | ||||
| 14 | VAL | PRO | VAL | GLU | GLU | SER | ALA | PRO | PHE | ARG | ||||
| 15 | GLN | ALA | ALA | LEU | ARG | HIS | ASN | ILE | ALA | PRO | ||||
| 16 | ILE | PHE | ILE | CYS | PRO | PRO | ASN | ALA | ASP | ASP | ||||
| 17 | ASP | LEU | LEU | ARG | GLN | VAL | ALA | SER | TYR | GLY | ||||
| 18 | ARG | GLY | TYR | THR | TYR | LEU | LEU | SER | ARG | SER | ||||
| 19 | GLY | VAL | THR | GLY | ALA | GLU | ASN | ARG | GLY | ALA | ||||
| 20 | LEU | PRO | LEU | HIS | HIS | LEU | ILE | GLU | LYS | LEU | ||||
| 21 | LYS | GLU | TYR | HIS | ALA | ALA | PRO | ALA | LEU | GLN | ||||
| 22 | GLY | PHE | GLY | ILE | SER | SER | PRO | GLU | GLN | VAL | ||||
| 23 | SER | ALA | ALA | VAL | ARG | ALA | GLY | ALA | ALA | GLY | ||||
| 24 | ALA | ILE | SER | GLY | SER | ALA | ILE | VAL | LYS | ILE | ||||
| 25 | ILE | GLU | LYS | ASN | LEU | ALA | SER | PRO | LYS | GLN | ||||
| 26 | MET | LEU | ALA | GLU | LEU | ARG | SER | PHE | VAL | SER | ||||
| 27 | ALA | MET | LYS | ALA | ALA | SER | ARG | ALA |
Samples:
sample_1: entity_1, [U-2H; U-13C; U-15N], 750 uM; sodium phosphate 50 ± 0 mM; EDTA 1 ± 0 mM; sodium azide 0.05 ± 0 %; DTT 1 ± 0 mM
sample_conditions_1: ionic strength: 50 mM; pH: 6.5; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCO | sample_1 | isotropic | sample_conditions_1 |
| 3D HN(CA)CO | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCACB | sample_1 | isotropic | sample_conditions_1 |
| 3D HN(CO)CACB | sample_1 | isotropic | sample_conditions_1 |
Software:
PINE, Bahrami, Markley, Assadi, and Eghbalnia - chemical shift assignment
SPARKY, Goddard - peak picking
NMR spectrometers:
- Bruker Avance 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