BMRB Entry 17596
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR17596
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Title: Backbone and sidechain 1H, 13C and 15N chemical shift assignments of the hydrophobin DewA from Aspergillus nidulans PubMed: 21845363
Deposition date: 2011-04-20 Original release date: 2011-08-19
Authors: Morris, Vanessa; Kwan, Ann; Mackay, Joel; Sunde, Margaret
Citation: Morris, Vanessa; Kwan, Ann; Mackay, Joel; Sunde, Margaret. "Backbone and sidechain (1)H, (13)C and (15)N chemical shift assignments of the hydrophobin DewA from Aspergillus nidulans." Biomol. NMR Assignments 6, 83-86 (2012).
Assembly members:
DewA, polymer, 118 residues, Formula weight is not available
Natural source: Common Name: Aspergillus nidulans Taxonomy ID: 162425 Superkingdom: Eukaryota Kingdom: Fungi Genus/species: Aspergillus nidulans
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
DewA: SLPASAAKNAKLATSAAFAK
QAEGTTCNVGSIACCNSPAE
TNNDSLLSGLLGAGLLNGLS
GNTGSACAKASLIDQLGLLA
LVDHTEEGPVCKNIVACCPE
GTTNCVAVDNAGAGTKAE
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 854 |
| 15N chemical shifts | 238 |
| 1H chemical shifts | 1382 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | DewA | 1 |
Entities:
Entity 1, DewA 118 residues - Formula weight is not available
Residue 1 is a cloning artefact. Our construct starts from residue 19 of the native precursor, which is at the cleavage site.
| 1 | SER | LEU | PRO | ALA | SER | ALA | ALA | LYS | ASN | ALA | ||||
| 2 | LYS | LEU | ALA | THR | SER | ALA | ALA | PHE | ALA | LYS | ||||
| 3 | GLN | ALA | GLU | GLY | THR | THR | CYS | ASN | VAL | GLY | ||||
| 4 | SER | ILE | ALA | CYS | CYS | ASN | SER | PRO | ALA | GLU | ||||
| 5 | THR | ASN | ASN | ASP | SER | LEU | LEU | SER | GLY | LEU | ||||
| 6 | LEU | GLY | ALA | GLY | LEU | LEU | ASN | GLY | LEU | SER | ||||
| 7 | GLY | ASN | THR | GLY | SER | ALA | CYS | ALA | LYS | ALA | ||||
| 8 | SER | LEU | ILE | ASP | GLN | LEU | GLY | LEU | LEU | ALA | ||||
| 9 | LEU | VAL | ASP | HIS | THR | GLU | GLU | GLY | PRO | VAL | ||||
| 10 | CYS | LYS | ASN | ILE | VAL | ALA | CYS | CYS | PRO | GLU | ||||
| 11 | GLY | THR | THR | ASN | CYS | VAL | ALA | VAL | ASP | ASN | ||||
| 12 | ALA | GLY | ALA | GLY | THR | LYS | ALA | GLU |
Samples:
15N_DewA: DewA, [U-99% 15N], 300 – 500 uM; DSS 0.1 mM; sodium acetate 20 mM; H20 95%; D20 5%
15N13C_DewA: DewA, [U-98% 13C; U-98% 15N], 300 – 500 uM; DSS 0.1 mM; sodium acetate 20 mM; H20 95%; D20 5%
15N13C_DewA_D2O: DewA, [U-98% 13C; U-98% 15N], 300 – 500 uM; DSS 0.1 mM; sodium acetate 20 mM; H20 95%; D20 5%
unlabelled_DewA: DewA, [U-98% 13C; U-98% 15N], 300 – 500 uM; DSS 0.1 mM; sodium acetate 20 mM; H20 95%; D20 5%
sample_conditions_1: ionic strength: 40 mM; pH: 5.5; pressure: 1 atm; temperature: 298 K
sample_conditions_2: ionic strength: 40 mM; pH: 5.1; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | 15N13C_DewA | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC | 15N13C_DewA | isotropic | sample_conditions_1 |
| 2D 1H-1H NOESY | unlabelled_DewA | isotropic | sample_conditions_1 |
| 3D CBCA(CO)NH | 15N13C_DewA | isotropic | sample_conditions_1 |
| 3D C(CO)NH | 15N13C_DewA | isotropic | sample_conditions_1 |
| 3D HNCO | 15N13C_DewA | isotropic | sample_conditions_1 |
| 3D HNCACB | 15N13C_DewA | isotropic | sample_conditions_1 |
| 3D HBHA(CO)NH | 15N13C_DewA | isotropic | sample_conditions_1 |
| 3D HN(CA)CO | 15N13C_DewA | isotropic | sample_conditions_1 |
| 3D 1H-15N NOESY | 15N_DewA | isotropic | sample_conditions_1 |
| 3D 1H-15N TOCSY | 15N_DewA | isotropic | sample_conditions_1 |
| 3D 1H-13C NOESY aliphatic | 15N13C_DewA_D2O | isotropic | sample_conditions_2 |
| 3D HCCH-TOCSY | 15N13C_DewA_D2O | isotropic | sample_conditions_2 |
Software:
TOPSPIN, Bruker Biospin - collection, processing
SPARKY, Goddard - chemical shift assignment, peak picking
TALOS, Cornilescu, Delaglio and Bax - data analysis
NMR spectrometers:
- Bruker Avance 800 MHz
- Bruker Avance 600 MHz
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts