BMRB Entry 51347
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR51347
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Title: Backbone assignments for Indole-3-glycerol phosphate synthase hyper-thermophilic homolog from Sulfolobus solfataricus R43S mutant (SsIGPS.R43S) PubMed: 36944645
Deposition date: 2022-03-06 Original release date: 2023-07-04
Authors: Bishop, Anthony; Kotaru, Sravya; Wand, A. Joshua
Citation: Bishop, Anthony; Torres-Montalvo, Glorise; Kotaru, Sravya; Mimun, Kyle; Wand, A Joshua. "Robust automated backbone triple resonance NMR assignments of proteins using Bayesian-based simulated annealing" Nat. Commun. 14, 1556-1556 (2023).
Assembly members:
entity_1, polymer, 248 residues, Formula weight is not available
Natural source: Common Name: Sulfolobus solfataricus Taxonomy ID: 2287 Superkingdom: Archaea Kingdom: not available Genus/species: Sulfolobus solfataricus
Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pGS-21a
Entity Sequences (FASTA):
entity_1: GPRYLKGWLKDVVQLSLRRP
SFRASRQRPIISLNERILEF
NKSNITAIIAEYKRKSPSGL
DVERDPIEYSKFMERYAVGL
SILTEEKYFNGSYETLRKIA
SSVSIPILMKDFIVKESQID
DAYNLGADTVLLIVKILTER
ELESLLEYARSYGMEPLIEI
NDENDLDIALRIGARFIGIN
SRDLETLEINKENQRKLISM
IPSNVVKVAESGISERNEIE
ELRKLGVNAFLIGSSLMRNP
EKIKEFIL
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 679 |
| 15N chemical shifts | 212 |
| 1H chemical shifts | 212 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | SsIGPS.R43S | 1 |
Entities:
Entity 1, SsIGPS.R43S 248 residues - Formula weight is not available
| 1 | GLY | PRO | ARG | TYR | LEU | LYS | GLY | TRP | LEU | LYS | ||||
| 2 | ASP | VAL | VAL | GLN | LEU | SER | LEU | ARG | ARG | PRO | ||||
| 3 | SER | PHE | ARG | ALA | SER | ARG | GLN | ARG | PRO | ILE | ||||
| 4 | ILE | SER | LEU | ASN | GLU | ARG | ILE | LEU | GLU | PHE | ||||
| 5 | ASN | LYS | SER | ASN | ILE | THR | ALA | ILE | ILE | ALA | ||||
| 6 | GLU | TYR | LYS | ARG | LYS | SER | PRO | SER | GLY | LEU | ||||
| 7 | ASP | VAL | GLU | ARG | ASP | PRO | ILE | GLU | TYR | SER | ||||
| 8 | LYS | PHE | MET | GLU | ARG | TYR | ALA | VAL | GLY | LEU | ||||
| 9 | SER | ILE | LEU | THR | GLU | GLU | LYS | TYR | PHE | ASN | ||||
| 10 | GLY | SER | TYR | GLU | THR | LEU | ARG | LYS | ILE | ALA | ||||
| 11 | SER | SER | VAL | SER | ILE | PRO | ILE | LEU | MET | LYS | ||||
| 12 | ASP | PHE | ILE | VAL | LYS | GLU | SER | GLN | ILE | ASP | ||||
| 13 | ASP | ALA | TYR | ASN | LEU | GLY | ALA | ASP | THR | VAL | ||||
| 14 | LEU | LEU | ILE | VAL | LYS | ILE | LEU | THR | GLU | ARG | ||||
| 15 | GLU | LEU | GLU | SER | LEU | LEU | GLU | TYR | ALA | ARG | ||||
| 16 | SER | TYR | GLY | MET | GLU | PRO | LEU | ILE | GLU | ILE | ||||
| 17 | ASN | ASP | GLU | ASN | ASP | LEU | ASP | ILE | ALA | LEU | ||||
| 18 | ARG | ILE | GLY | ALA | ARG | PHE | ILE | GLY | ILE | ASN | ||||
| 19 | SER | ARG | ASP | LEU | GLU | THR | LEU | GLU | ILE | ASN | ||||
| 20 | LYS | GLU | ASN | GLN | ARG | LYS | LEU | ILE | SER | MET | ||||
| 21 | ILE | PRO | SER | ASN | VAL | VAL | LYS | VAL | ALA | GLU | ||||
| 22 | SER | GLY | ILE | SER | GLU | ARG | ASN | GLU | ILE | GLU | ||||
| 23 | GLU | LEU | ARG | LYS | LEU | GLY | VAL | ASN | ALA | PHE | ||||
| 24 | LEU | ILE | GLY | SER | SER | LEU | MET | ARG | ASN | PRO | ||||
| 25 | GLU | LYS | ILE | LYS | GLU | PHE | ILE | LEU |
Samples:
sample_1: Indole-3-glycerol phosphate synthase, [U-99% 13C; U-99% 15N], 250 uM; potassium phosphate 60 mM; potassium chloride 50 mM; sodium azide 0.02%
sample_conditions_1: ionic strength: 110 mM; pH: 7.2; pressure: 1 atm; temperature: 323.15 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 HNCA | sample_1 | isotropic | sample_conditions_1 |
| 3D HN(CO)CA | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCACB | sample_1 | isotropic | sample_conditions_1 |
| 3D CBCA(CO)NH | sample_1 | isotropic | sample_conditions_1 |
Software:
NMRPipe - processing
NMRFAM-SPARKY - peak picking
TOPSPIN - collection
ShiftX2 - chemical shift calculation
istHMS - processing
NMR spectrometers:
- Bruker AVANCE III 750 MHz
Download HSQC peak lists in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts