BMRB Entry 50297
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR50297
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Title: ScCM:Apo state, ScCM:YY state, and ScCM:WW state methyl axis order paramaters for Ile and Thr residues. PubMed: 32538627
Deposition date: 2020-05-26 Original release date: 2020-06-02
Authors: Gorman, Scott; Boehr, David
Citation: Gorman, Scott; Winston, Dennis; Sahu, Debashish; Boehr, David. "Different solvent and conformational entropy contributions to the allosteric activation and inhibition mechanisms of yeast chorismate mutase" Biochemistry 59, 2528-2540 (2020).
Assembly members:
entity_1, polymer, 264 residues, Formula weight is not available
Natural source: Common Name: baker's yeast Taxonomy ID: 4932 Superkingdom: Eukaryota Kingdom: Fungi Genus/species: Saccharomyces cerevisiae
Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pEX-C-His
Entity Sequences (FASTA):
entity_1: MDFTKPETVLNLQNIRDELV
RMEDSIIFKFIERSHFATCP
SVYEANHPGLEIPNFKGSFL
DWALSNLEIAHSRIRRFESP
DETPFFPDKIQKSFLPSINY
PQILAPYAPEVNYNDKIKKV
YIEKIIPLISKRDGDDKNNF
GSVATRDIECLQSLSRRIHF
GKFVAEAKFQSDIPLYTKLI
KSKDVEGIMKNITNSAVEEK
ILERLTKKAEVYGVDPTNES
GERRITPEYLVKIYKEIVIP
ITKEVEVEYLLRRLEESREN
LYFQ
- order_parameters
| Data type | Count |
| order parameters | 109 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | ScCM, Monomer 1 | 1 |
| 2 | ScCM, Monomer 2 | 1 |
Entities:
Entity 1, ScCM, Monomer 1 264 residues - Formula weight is not available
The WT sequence ends at "RRLEE". The additional C-terminal residues "SRENLYFQ" are a cloning artifact due to the His tag that is cleaved during purification.
| 1 | MET | ASP | PHE | THR | LYS | PRO | GLU | THR | VAL | LEU | ||||
| 2 | ASN | LEU | GLN | ASN | ILE | ARG | ASP | GLU | LEU | VAL | ||||
| 3 | ARG | MET | GLU | ASP | SER | ILE | ILE | PHE | LYS | PHE | ||||
| 4 | ILE | GLU | ARG | SER | HIS | PHE | ALA | THR | CYS | PRO | ||||
| 5 | SER | VAL | TYR | GLU | ALA | ASN | HIS | PRO | GLY | LEU | ||||
| 6 | GLU | ILE | PRO | ASN | PHE | LYS | GLY | SER | PHE | LEU | ||||
| 7 | ASP | TRP | ALA | LEU | SER | ASN | LEU | GLU | ILE | ALA | ||||
| 8 | HIS | SER | ARG | ILE | ARG | ARG | PHE | GLU | SER | PRO | ||||
| 9 | ASP | GLU | THR | PRO | PHE | PHE | PRO | ASP | LYS | ILE | ||||
| 10 | GLN | LYS | SER | PHE | LEU | PRO | SER | ILE | ASN | TYR | ||||
| 11 | PRO | GLN | ILE | LEU | ALA | PRO | TYR | ALA | PRO | GLU | ||||
| 12 | VAL | ASN | TYR | ASN | ASP | LYS | ILE | LYS | LYS | VAL | ||||
| 13 | TYR | ILE | GLU | LYS | ILE | ILE | PRO | LEU | ILE | SER | ||||
| 14 | LYS | ARG | ASP | GLY | ASP | ASP | LYS | ASN | ASN | PHE | ||||
| 15 | GLY | SER | VAL | ALA | THR | ARG | ASP | ILE | GLU | CYS | ||||
| 16 | LEU | GLN | SER | LEU | SER | ARG | ARG | ILE | HIS | PHE | ||||
| 17 | GLY | LYS | PHE | VAL | ALA | GLU | ALA | LYS | PHE | GLN | ||||
| 18 | SER | ASP | ILE | PRO | LEU | TYR | THR | LYS | LEU | ILE | ||||
| 19 | LYS | SER | LYS | ASP | VAL | GLU | GLY | ILE | MET | LYS | ||||
| 20 | ASN | ILE | THR | ASN | SER | ALA | VAL | GLU | GLU | LYS | ||||
| 21 | ILE | LEU | GLU | ARG | LEU | THR | LYS | LYS | ALA | GLU | ||||
| 22 | VAL | TYR | GLY | VAL | ASP | PRO | THR | ASN | GLU | SER | ||||
| 23 | GLY | GLU | ARG | ARG | ILE | THR | PRO | GLU | TYR | LEU | ||||
| 24 | VAL | LYS | ILE | TYR | LYS | GLU | ILE | VAL | ILE | PRO | ||||
| 25 | ILE | THR | LYS | GLU | VAL | GLU | VAL | GLU | TYR | LEU | ||||
| 26 | LEU | ARG | ARG | LEU | GLU | GLU | SER | ARG | GLU | ASN | ||||
| 27 | LEU | TYR | PHE | GLN |
Samples:
sample_1: ScCM, [U-100% 2H; 100% 1H HD1-Ile; 100% 13C CD1-Ile; 100% 1H HG2-Thr; 100% 13C CG2-Thr], 0.365 mM; potassium phosphate 50 mM; beta-mercaptoethanol 2 mM; sodium azide 0.02%
sample_2: ScCM, [U-100% 2H; 100% 1H HD1-Ile; 100% 13C CD1-Ile; 100% 1H HG2-Thr; 100% 13C CG2-Thr], 0.365 mM; Tyrosine 2.5 mM; potassium phosphate 50 mM; beta-mercaptoethanol 2 mM; sodium azide 0.02%
sample_3: ScCM, [U-100% 2H; 100% 1H HD1-Ile; 100% 13C CD1-Ile; 100% 1H HG2-Thr; 100% 13C CG2-Thr], 0.365 mM; Tryptophan 3 mM; potassium phosphate 50 mM; beta-mercaptoethanol 2 mM; sodium azide 0.02%
sample_conditions_1: ionic strength: 50 mM; pH: 6.8; pressure: 1 atm; temperature: 300 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| Intra-methyl 1H-1H dipolar cross-correlated spin relaxation | sample_1 | isotropic | sample_conditions_1 |
| Intra-methyl 1H-1H dipolar cross-correlated spin relaxation | sample_2 | isotropic | sample_conditions_1 |
| Intra-methyl 1H-1H dipolar cross-correlated spin relaxation | sample_3 | isotropic | sample_conditions_1 |
Software:
TOPSPIN v3.2 - collection
NMRPipe - data analysis, peak picking, processing
Matlab v2019 - data analysis
NMR spectrometers:
- Bruker Avance 600 MHz MHz
Related Database Links:
| PDB |