BMRB Entry 19831
Chem Shift validation: AVS_anomalous, AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR19831
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Citation: Ivanir, Hadar; Goldbourt, Amir. "Solid state NMR chemical shift assignment and conformational analysis of a cellulose binding protein facilitated by optimized glycerol enrichment" J. Biomol. NMR ., .-..
Assembly members:
CBM3b-Cbh9A, polymer, 166 residues, 18662.6 Da.
Natural source: Common Name: Clostridium thermocellum Taxonomy ID: 1515 Superkingdom: Bacteria Kingdom: not available Genus/species: Clostridium thermocellum
Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pET-28a(+)
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 504 |
| 15N chemical shifts | 129 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | CBM3b-Cbh9A | 1 |
Entities:
Entity 1, CBM3b-Cbh9A 166 residues - 18662.6 Da.
Residues 1-20 represent a disordered histidine purification tag
| 1 | MET | GLY | SER | SER | HIS | HIS | HIS | HIS | HIS | HIS | ||||
| 2 | SER | SER | GLY | LEU | VAL | PRO | ARG | GLY | SER | HIS | ||||
| 3 | MET | ASP | VAL | LYS | VAL | GLN | TYR | LEU | CYS | GLU | ||||
| 4 | ASN | THR | GLN | THR | SER | THR | GLN | GLU | ILE | LYS | ||||
| 5 | GLY | LYS | PHE | ASN | ILE | VAL | ASN | THR | GLY | ASN | ||||
| 6 | ARG | ASP | TYR | SER | LEU | LYS | ASP | ILE | VAL | LEU | ||||
| 7 | ARG | TYR | TYR | PHE | THR | LYS | GLU | HIS | ASN | SER | ||||
| 8 | GLN | LEU | GLN | PHE | ILE | CYS | TYR | TYR | THR | PRO | ||||
| 9 | ILE | GLY | SER | GLY | ASN | LEU | ILE | PRO | SER | PHE | ||||
| 10 | GLY | GLY | SER | GLY | ASP | GLU | HIS | TYR | LEU | GLN | ||||
| 11 | LEU | GLU | PHE | LYS | ASP | VAL | LYS | LEU | PRO | ALA | ||||
| 12 | GLY | GLY | GLN | THR | GLY | GLU | ILE | GLN | PHE | VAL | ||||
| 13 | ILE | ARG | TYR | ALA | ASP | ASN | SER | PHE | HIS | ASP | ||||
| 14 | GLN | SER | ASN | ASP | TYR | SER | PHE | ASP | PRO | THR | ||||
| 15 | ILE | LYS | ALA | PHE | GLN | ASP | TYR | GLY | LYS | VAL | ||||
| 16 | THR | LEU | TYR | LYS | ASN | GLY | GLU | LEU | VAL | TRP | ||||
| 17 | GLY | THR | PRO | PRO | GLY | GLY |
Samples:
sample_1: CBM3b-Cbh9A, [2-13C] glycerol, 30 mg/mL
sample_2: CBM3b-Cbh9A, [U-100% 13C; U-100% 15N], 30 mg/mL
sample_conditions_1: ionic strength: 0.4 M; pH: 7.5; pressure: 1 atm; temperature: 273 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 13C-13C DARR | sample_1 | solid | sample_conditions_1 |
| 2D 15N-15N PDSD | sample_1 | solid | sample_conditions_1 |
| 2D 13C-13C DARR | sample_2 | solid | sample_conditions_1 |
| 3D NCACX | sample_1 | solid | sample_conditions_1 |
| 3D NCOCX | sample_1 | solid | sample_conditions_1 |
| 2D NCA | sample_1 | solid | sample_conditions_1 |
| 3D NCACX | sample_2 | solid | sample_conditions_1 |
Software:
SPARKY v3.113, Goddard - chemical shift assignment
NMR spectrometers:
- Bruker Avance-III 600 MHz