BMRB Entry 16330
Chem Shift validation: AVS_anomalous, AVS_full, LACS, SPARTA
BMRB Entry DOI: doi:10.13018/BMR16330
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Title: 1H, 15N and 13C chemical shift assignments for the reduced form of the DsbA oxidoreductase from Staphylococcus aureus PubMed: 19936968
Deposition date: 2009-06-03 Original release date: 2009-12-11
Authors: Williams, Martin; Chalmers, David; Martin, Jennifer; Scanlon, Martin
Citation: Williams, Martin; Chalmers, David; Martin, Jennifer; Scanlon, Martin. "Backbone and side chain 1H, 15N and 13C assignments for the oxidised and reduced forms of the oxidoreductase protein DsbA from Staphylococcus aureus." Biomol. NMR Assignments 4, 25-28 (2010).
Assembly members:
SaDsbA_Oxidoreductase, polymer, 186 residues, 21635 Da.
Natural source: Common Name: Staphylococcus aureus Taxonomy ID: 1280 Superkingdom: Bacteria Kingdom: not available Genus/species: Staphylococcus aureus
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
SaDsbA_Oxidoreductase: MASATTSSKNGKPLVVVYGD
YKCPYCKELDEKVMPKLRKN
YIDNHKVEYQFVNLAFLGKD
SIVGSRASHAVLMYAPKSFL
DFQKQLFAAQQDENKEWLTK
ELLDKHIKQLHLDKETENKI
IKDYKTKDSKSWKAAEKDKK
IAKDNHIKTTPTAFINGEKV
EDPYDYESYEKLLKDKIKLE
HHHHHH
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 498 |
| 15N chemical shifts | 158 |
| 1H chemical shifts | 158 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | DsbA monomer | 1 |
Entities:
Entity 1, DsbA monomer 186 residues - 21635 Da.
| 1 | MET | ALA | SER | ALA | THR | THR | SER | SER | LYS | ASN | ||||
| 2 | GLY | LYS | PRO | LEU | VAL | VAL | VAL | TYR | GLY | ASP | ||||
| 3 | TYR | LYS | CYS | PRO | TYR | CYS | LYS | GLU | LEU | ASP | ||||
| 4 | GLU | LYS | VAL | MET | PRO | LYS | LEU | ARG | LYS | ASN | ||||
| 5 | TYR | ILE | ASP | ASN | HIS | LYS | VAL | GLU | TYR | GLN | ||||
| 6 | PHE | VAL | ASN | LEU | ALA | PHE | LEU | GLY | LYS | ASP | ||||
| 7 | SER | ILE | VAL | GLY | SER | ARG | ALA | SER | HIS | ALA | ||||
| 8 | VAL | LEU | MET | TYR | ALA | PRO | LYS | SER | PHE | LEU | ||||
| 9 | ASP | PHE | GLN | LYS | GLN | LEU | PHE | ALA | ALA | GLN | ||||
| 10 | GLN | ASP | GLU | ASN | LYS | GLU | TRP | LEU | THR | LYS | ||||
| 11 | GLU | LEU | LEU | ASP | LYS | HIS | ILE | LYS | GLN | LEU | ||||
| 12 | HIS | LEU | ASP | LYS | GLU | THR | GLU | ASN | LYS | ILE | ||||
| 13 | ILE | LYS | ASP | TYR | LYS | THR | LYS | ASP | SER | LYS | ||||
| 14 | SER | TRP | LYS | ALA | ALA | GLU | LYS | ASP | LYS | LYS | ||||
| 15 | ILE | ALA | LYS | ASP | ASN | HIS | ILE | LYS | THR | THR | ||||
| 16 | PRO | THR | ALA | PHE | ILE | ASN | GLY | GLU | LYS | VAL | ||||
| 17 | GLU | ASP | PRO | TYR | ASP | TYR | GLU | SER | TYR | GLU | ||||
| 18 | LYS | LEU | LEU | LYS | ASP | LYS | ILE | LYS | LEU | GLU | ||||
| 19 | HIS | HIS | HIS | HIS | HIS | HIS |
Samples:
sample_1: SaDsbA Oxidoreductase, [U-95% 13C; U-90% 15N], 0.24 ± 0.04 mM; HEPES 10 mM; sodium chloride 50 mM; H2O 90%; D2O 10%
sample_conditions_1: ionic strength: 10 mM; pH: 6.8; pressure: 1 atm; temperature: 318 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC | sample_1 | isotropic | sample_conditions_1 |
| 3D CBCA(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCACB | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCO | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCACO | sample_1 | isotropic | sample_conditions_1 |
| 3D HCCH-TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 3D C(CO)NH-TOCSY | sample_1 | isotropic | sample_conditions_1 |
Software:
SPARKY v3.113, Goddard - chemical shift assignment, peak picking
NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
NMR spectrometers:
- Varian INOVA 600 MHz
Related Database Links:
| BMRB | 16329 |
| PDB | |
| DBJ | BAB43499 BAB58571 BAB96196 BAF68580 BAF79276 |
| EMBL | CAG41479 CAG44113 CAI81978 CAQ50840 CBI50404 |
| GB | AAG41993 AAW37232 ABD21498 ABD31702 ABQ50211 |
| REF | WP_000162799 WP_000162803 WP_000162804 WP_000162805 WP_000162807 |
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts