BMRB Entry 16457
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR16457
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Title: The Structural Basis for the Ligand Specificity of Family 2 Carbohydrate-binding Modules PubMed: 10973978
Deposition date: 2009-08-19 Original release date: 2010-03-08
Authors: Simpson, Peter; Xie, Hefang; Bolam, David; Gilbert, Harry; Williamson, Michael
Citation: Simpson, Peter; Xie, Hefang; Bolam, David; Gilbert, Harry; Williamson, Michael. "The Structurl Basis for the Ligand Specificity of Family 2 Carbohydrate-binding Modules" J. Biol. Chem. 275, 41137-41142 (2000).
Assembly members:
CBM2b_R262G, polymer, 84 residues, Formula weight is not available
CELLOHEXAOSE, non-polymer, 990.859 Da.
Natural source: Common Name: Cellulomonas fimi Taxonomy ID: 1708 Superkingdom: Bacteria Kingdom: not available Genus/species: Cellulomonas fimi
Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pET16b
Entity Sequences (FASTA):
CBM2b_R262G: STGCSVTATRAEEWSDGFNV
TYSVSGSSAWTVNLALNGSQ
TIQASWNANVTGSGSTRTVT
PNGSGNTVMKNGSSTTPAAT
CAGS
- binding_constants
| Data type | Count |
| binding constants | 8 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | CBM2b R262G | 1 |
| 2 | cellohexaose | 2 |
Entities:
Entity 1, CBM2b R262G 84 residues - Formula weight is not available
| 1 | SER | THR | GLY | CYS | SER | VAL | THR | ALA | THR | ARG | ||||
| 2 | ALA | GLU | GLU | TRP | SER | ASP | GLY | PHE | ASN | VAL | ||||
| 3 | THR | TYR | SER | VAL | SER | GLY | SER | SER | ALA | TRP | ||||
| 4 | THR | VAL | ASN | LEU | ALA | LEU | ASN | GLY | SER | GLN | ||||
| 5 | THR | ILE | GLN | ALA | SER | TRP | ASN | ALA | ASN | VAL | ||||
| 6 | THR | GLY | SER | GLY | SER | THR | ARG | THR | VAL | THR | ||||
| 7 | PRO | ASN | GLY | SER | GLY | ASN | THR | VAL | MET | LYS | ||||
| 8 | ASN | GLY | SER | SER | THR | THR | PRO | ALA | ALA | THR | ||||
| 9 | CYS | ALA | GLY | SER |
Entity 2, cellohexaose - C36 H62 O31 - 990.859 Da.
| 1 | CE6 |
Samples:
sample_1: CBM2b R262G, [U-15N], 100 uM; sodium phosphate buffer 50 mM; D2O 10%; H2O 90%
sample_2: CBM2b R262G, [U-15N], 100 uM; cellohexaose 50 uM; sodium phosphate buffer 50 mM; D2O 10%; H2O 90%
sample_3: CBM2b R262G, [U-15N], 100 uM; cellohexaose 200 uM; sodium phosphate buffer 50 mM; D2O 10%; H2O 90%
sample_4: CBM2b R262G, [U-15N], 100 uM; cellohexaose 800 uM; sodium phosphate buffer 50 mM; D2O 10%; H2O 90%
sample_5: CBM2b R262G, [U-15N], 100 uM; cellohexaose 2 mM; sodium phosphate buffer 50 mM; D2O 10%; H2O 90%
sample_6: CBM2b R262G, [U-15N], 100 uM; cellohexaose 4 mM; sodium phosphate buffer 50 mM; D2O 10%; H2O 90%
sample_7: CBM2b R262G, [U-15N], 100 uM; cellohexaose 9.5 mM; sodium phosphate buffer 50 mM; D2O 10%; H2O 90%
sample_conditions_1: ionic strength: 50 mM; pH: 7.0; pressure: 1 atm; temperature: 303 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-15N HSQC | sample_2 | isotropic | sample_conditions_1 |
| 2D 1H-15N HSQC | sample_3 | isotropic | sample_conditions_1 |
| 2D 1H-15N HSQC | sample_4 | isotropic | sample_conditions_1 |
| 2D 1H-15N HSQC | sample_5 | isotropic | sample_conditions_1 |
| 2D 1H-15N HSQC | sample_6 | isotropic | sample_conditions_1 |
| 2D 1H-15N HSQC | sample_7 | isotropic | sample_conditions_1 |
Software:
EXCEL v5.0, (Microsoft Corporation) - data fitting
X-PLOR, Brunger - structure solution
NMR spectrometers:
- Bruker DRX 800 MHz