BMRB Entry 16783
Chem Shift validation: AVS_anomalous, AVS_full
BMRB Entry DOI: doi:10.13018/BMR16783
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Title: Smr in bicelles PubMed: 20407887
Deposition date: 2010-03-22 Original release date: 2010-05-03
Authors: Poget, Sebastien; Richard, Harris; Sean, Cahill
Citation: Poget, Sebastien; Harris, Richard; Cahill, Sean; Girvin, Mark. "1H, 13C, 15N backbone NMR assignments of the Staphylococcus aureus small multidrug-resistance pump (Smr) in a functionally active conformation." Biomol. NMR Assignments 4, 139-142 (2010).
Assembly members:
Smr, polymer, 107 residues, Formula weight is not available
Natural source: Common Name: firmicutes 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):
Smr: MPYIYLIIAISTEVIGSAFL
KSSEGFSKFIPSLGTIISFG
ICFYFLSKTMQHLPLNITYA
TWAGLGLVLTTVVSIIIFKE
QINLITIVSIVLIIVGVVSL
NIFGTSH
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 244 |
| 15N chemical shifts | 86 |
| 1H chemical shifts | 86 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | monomer 1 | 1 |
| 2 | monomer 2 | 1 |
Entities:
Entity 1, monomer 1 107 residues - Formula weight is not available
| 1 | MET | PRO | TYR | ILE | TYR | LEU | ILE | ILE | ALA | ILE | ||||
| 2 | SER | THR | GLU | VAL | ILE | GLY | SER | ALA | PHE | LEU | ||||
| 3 | LYS | SER | SER | GLU | GLY | PHE | SER | LYS | PHE | ILE | ||||
| 4 | PRO | SER | LEU | GLY | THR | ILE | ILE | SER | PHE | GLY | ||||
| 5 | ILE | CYS | PHE | TYR | PHE | LEU | SER | LYS | THR | MET | ||||
| 6 | GLN | HIS | LEU | PRO | LEU | ASN | ILE | THR | TYR | ALA | ||||
| 7 | THR | TRP | ALA | GLY | LEU | GLY | LEU | VAL | LEU | THR | ||||
| 8 | THR | VAL | VAL | SER | ILE | ILE | ILE | PHE | LYS | GLU | ||||
| 9 | GLN | ILE | ASN | LEU | ILE | THR | ILE | VAL | SER | ILE | ||||
| 10 | VAL | LEU | ILE | ILE | VAL | GLY | VAL | VAL | SER | LEU | ||||
| 11 | ASN | ILE | PHE | GLY | THR | SER | HIS |
Samples:
sample_1: Smr, [U-100% 13C; U-100% 15N; U-100% 2H], 1 mM; DHPC 200 mM; DMPC 84 mM; potassium phosphate 20 mM; TSP 1 mM; sodium azide 0.05%; H2O 90%; D2O 10%
sample_conditions_1: ionic strength: 20 mM; pH: 6.8; pressure: 1 atm; temperature: 315.5 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCO | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCA | sample_1 | isotropic | sample_conditions_1 |
| 3D HN(CO)CA | sample_1 | isotropic | sample_conditions_1 |
| 3D HCACO | sample_1 | isotropic | sample_conditions_1 |
| 3D HN(CA)CB | sample_1 | isotropic | sample_conditions_1 |
| 2D CACO | sample_1 | isotropic | sample_conditions_1 |
Software:
NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
Analysis, CCPN - chemical shift assignment
NMR spectrometers:
- Bruker Avance 800 MHz
- Bruker Avance 900 MHz
Related Database Links:
| DBJ | BAD01019 BAE92298 BAP94573 |
| EMBL | CAA33598 CAA44471 CAA44472 CAA86016 CAC14916 |
| GB | AAA26666 AAA26668 AAA60379 AAB02114 AAB07747 |
| PRF | 1907159A |
| REF | NP_647561 NP_863640 NP_878005 NP_940784 WP_001146389 |
| SP | P14319 Q55339 |
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts