BMRB Entry 18598
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR18598
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Title: Backbone resonance assignments for AgrA LytTR domain PubMed: 23181972
Deposition date: 2012-07-17 Original release date: 2013-02-28
Authors: Leonard, Paul; Sidote, David; Stock, Ann
Citation: Leonard, Paul; Bezar, Ian; Sidote, David; Stock, Ann. "Identification of a hydrophobic cleft in the LytTR domain of AgrA as a locus for small molecule interactions that inhibit DNA binding." Biochemistry 51, 10035-10043 (2012).
Assembly members:
AgrAc, polymer, 103 residues, Formula weight is not available
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):
AgrAc: MDNSVETIELKRGSNSVYVQ
YDDIMFFESSTKSHRLIAHL
DNRQIEFYGNLKELSQLDDR
FFRCHNSFVVNRHNIESIDS
KERIVYFKNKEHCYASVRNV
KKI
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 302 |
| 15N chemical shifts | 100 |
| 1H chemical shifts | 100 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | LytTR domain | 1 |
Entities:
Entity 1, LytTR domain 103 residues - Formula weight is not available
| 1 | MET | ASP | ASN | SER | VAL | GLU | THR | ILE | GLU | LEU | ||||
| 2 | LYS | ARG | GLY | SER | ASN | SER | VAL | TYR | VAL | GLN | ||||
| 3 | TYR | ASP | ASP | ILE | MET | PHE | PHE | GLU | SER | SER | ||||
| 4 | THR | LYS | SER | HIS | ARG | LEU | ILE | ALA | HIS | LEU | ||||
| 5 | ASP | ASN | ARG | GLN | ILE | GLU | PHE | TYR | GLY | ASN | ||||
| 6 | LEU | LYS | GLU | LEU | SER | GLN | LEU | ASP | ASP | ARG | ||||
| 7 | PHE | PHE | ARG | CYS | HIS | ASN | SER | PHE | VAL | VAL | ||||
| 8 | ASN | ARG | HIS | ASN | ILE | GLU | SER | ILE | ASP | SER | ||||
| 9 | LYS | GLU | ARG | ILE | VAL | TYR | PHE | LYS | ASN | LYS | ||||
| 10 | GLU | HIS | CYS | TYR | ALA | SER | VAL | ARG | ASN | VAL | ||||
| 11 | LYS | LYS | ILE |
Samples:
sample_1: AgrAc, [U-100% 13C; U-100% 15N], 1 mM; sodium phosphate 20 mM; NaCl 100 mM
sample_conditions_1: ionic strength: 0.15 M; pH: 5.8; pressure: 1 atm; temperature: 293.15 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | 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 HNCACB | sample_1 | isotropic | sample_conditions_1 |
| 3D HBHA(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCO | sample_1 | isotropic | sample_conditions_1 |
Software:
VNMR, Varian - collection
NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
ANALYSIS v2.0, CCPN - chemical shift assignment
NMR spectrometers:
- Varian INOVA 600 MHz
Related Database Links:
| UNP | P0A0I7 |
| PDB | |
| DBJ | BAB43126 BAB58201 BAB95828 BAF68218 BAF78907 |
| EMBL | CAA36784 CAG41107 CAG43751 CAI81612 CAQ50464 |
| GB | AAA26597 AAW36991 ABB17358 ABB17371 ABB17378 |
| REF | WP_000688486 WP_000688487 WP_000688488 WP_000688490 WP_000688492 |
| SP | P0A0I5 P0A0I6 P0A0I7 Q5HEG2 Q6G7R8 |
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts