BMRB Entry 51902
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR51902
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Title: Backbone and side chain chemical shift assignments of purS subunit of phosphoribosylformylglycinamidine synthase enzyme from S. aureus
Deposition date: 2023-04-11 Original release date: 2023-04-13
Authors: Wahab, Atia-tul-; Ashraf, Faryal; Choudhary, M. Iqbal
Citation: Wahab, Atia-tul-; Ashraf, Faryal; Choudhary, M. Iqbal. "Solution NMR structure and functional annotation of purS subunit of phosphoribosylformylglycinamidine synthase enzyme from S.aureus" .
Assembly members:
entity_1, polymer, 89 residues, Formula weight is not available
Natural source: Common Name: Staphylococcus aureus Taxonomy ID: 1280 Superkingdom: Bacteria Kingdom: not available Genus/species: Staphylococcus aureus
Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pSpeedET
Entity Sequences (FASTA):
entity_1: AGMKTIELHITLQPQVLDTQ
GQTLTRAVHDLGYAQVNDIR
VGKVLYMTVDEVSDEKVHNI
ITTLSEKLFANTVIEEYSYK
VLDDEKENA
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 393 |
| 15N chemical shifts | 88 |
| 1H chemical shifts | 643 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | subunit PurS | 1 |
Entities:
Entity 1, subunit PurS 89 residues - Formula weight is not available
| 1 | ALA | GLY | MET | LYS | THR | ILE | GLU | LEU | HIS | ILE | ||||
| 2 | THR | LEU | GLN | PRO | GLN | VAL | LEU | ASP | THR | GLN | ||||
| 3 | GLY | GLN | THR | LEU | THR | ARG | ALA | VAL | HIS | ASP | ||||
| 4 | LEU | GLY | TYR | ALA | GLN | VAL | ASN | ASP | ILE | ARG | ||||
| 5 | VAL | GLY | LYS | VAL | LEU | TYR | MET | THR | VAL | ASP | ||||
| 6 | GLU | VAL | SER | ASP | GLU | LYS | VAL | HIS | ASN | ILE | ||||
| 7 | ILE | THR | THR | LEU | SER | GLU | LYS | LEU | PHE | ALA | ||||
| 8 | ASN | THR | VAL | ILE | GLU | GLU | TYR | SER | TYR | LYS | ||||
| 9 | VAL | LEU | ASP | ASP | GLU | LYS | GLU | ASN | ALA |
Samples:
sample_1: PurS-PRFGS, [U-13C; U-15N], 1.2 mM; sodium phosphate 20 mM; sodium chloride 20 mM; DSS 0.15 mM; sodium azide 0.03%
sample_conditions_1: pH: 6; 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 C(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCA | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCACB | sample_1 | isotropic | sample_conditions_1 |
| 3D H(CCO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-13C NOESY aliphatic | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-15N NOESY | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-13C NOESY aromatic | sample_1 | isotropic | sample_conditions_1 |
Software:
TOPSPIN v3.6 - collection
CYANA v3.92.15 - structure solution
CARA - chemical shift assignment, data analysis
TALOS+ - refinement
SPARKY - chemical shift assignment, data analysis, peak picking
NMR spectrometers:
- Bruker AVANCE III 800 MHz MHz
Related Database Links:
| NCBI | WP_000848350.1 |
Download HSQC peak lists in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts