BMRB Entry 25951
Chem Shift validation: AVS_anomalous, AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR25951
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Title: 1H, 13C, and 15N chemical shift assignments of the fucose-bound lectin from Ralstonia solanacearum PubMed: 26845253
Deposition date: 2016-01-12 Original release date: 2016-02-18
Authors: Antonik, Pawel; van Nuland, Nico; Volkov, Alexander; Crowley, Peter
Citation: Antonik, Pawel; Volkov, Alexander; Broder, Ursula; Re, Daniele; van Nuland, Nico; Crowley, Peter. "Anomer-Specific Recognition and Dynamics in a Fucose-Binding Lectin" Biochemistry 55, 1195-1203 (2016).
Assembly members:
RSL, polymer, 90 residues, Formula weight is not available
ALPHA-L-FUCOSE, non-polymer, 164.156 Da.
Natural source: Common Name: b-proteobacteria Taxonomy ID: 305 Superkingdom: Bacteria Kingdom: not available Genus/species: Ralstonia solanacearum
Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pET
Entity Sequences (FASTA):
RSL: SSVQTAATSWGTVPSIRVYT
ANNGKITERCWDGKGWYTGA
FNEPGDNVSVTSWLVGSAIH
IRVYASTGTTTTEWCWDGNG
WTKGAYTATN
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 510 |
| 15N chemical shifts | 192 |
| 1H chemical shifts | 220 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | RSL | 1 |
| 2 | ligand | 2 |
Entities:
Entity 1, RSL 90 residues - Formula weight is not available
| 1 | SER | SER | VAL | GLN | THR | ALA | ALA | THR | SER | TRP | |
| 2 | GLY | THR | VAL | PRO | SER | ILE | ARG | VAL | TYR | THR | |
| 3 | ALA | ASN | ASN | GLY | LYS | ILE | THR | GLU | ARG | CYS | |
| 4 | TRP | ASP | GLY | LYS | GLY | TRP | TYR | THR | GLY | ALA | |
| 5 | PHE | ASN | GLU | PRO | GLY | ASP | ASN | VAL | SER | VAL | |
| 6 | THR | SER | TRP | LEU | VAL | GLY | SER | ALA | ILE | HIS | |
| 7 | ILE | ARG | VAL | TYR | ALA | SER | THR | GLY | THR | THR | |
| 8 | THR | THR | GLU | TRP | CYS | TRP | ASP | GLY | ASN | GLY | |
| 9 | TRP | THR | LYS | GLY | ALA | TYR | THR | ALA | THR | ASN |
Entity 2, ligand - 164.156 Da.
| 1 | FUC |
Samples:
sample_1: RSL, [U-100% 13C; U-100% 15N], 2 mM; fucose 24 mM; potassium phosphate 20 mM; sodium chloride 50 mM; H2O 95%; D2O 5%
sample_conditions_1: ionic strength: 68 mM; pH: 6.1; pressure: 1 atm; temperature: 303 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCACB | sample_1 | isotropic | sample_conditions_1 |
| 3D CBCA(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCO | sample_1 | isotropic | sample_conditions_1 |
| 2D (HB)CB(CGCD)HD | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-15N NOESY | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-13C NOESY | sample_1 | isotropic | sample_conditions_1 |
Software:
VNMRJ, Varian - collection
NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
CCPN, Vranken et al. - chemical shift assignment, data analysis, peak picking
NMR spectrometers:
- Varian Uniform NMR System 800 MHz
Download HSQC peak lists in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts