Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR18598
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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).
PubMed: 23181972
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 Vector: pET9a
Entity Sequences (FASTA):
AgrAc: MDNSVETIELKRGSNSVYVQ
YDDIMFFESSTKSHRLIAHL
DNRQIEFYGNLKELSQLDDR
FFRCHNSFVVNRHNIESIDS
KERIVYFKNKEHCYASVRNV
KKI
Data type | Count |
13C chemical shifts | 302 |
15N chemical shifts | 100 |
1H chemical shifts | 100 |
Entity Assembly ID | Entity Name | Entity ID |
---|---|---|
1 | LytTR domain | 1 |
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 |
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
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 |
VNMR, Varian - collection
NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
ANALYSIS v2.0, CCPN - chemical shift assignment
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 |
AlphaFold | P13131 P0A0I5 P0A0I6 P0A0I7 Q5HEG2 Q6G7R8 |
Download HSQC peak lists in one of the following formats:
CSV: Backbone
or all simulated peaks
SPARKY: Backbone
or all simulated peaks