BMRB Entry 26510
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR26510
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Title: The Sortase A Enzyme That Attaches Proteins to the Cell Wall of Bacillus anthracis Contains an Unusual Active Site Architecture PubMed: 20489200
Deposition date: 2015-02-16 Original release date: 2015-02-25
Authors: Weiner, Ethan; Robson, Scott; Marohn, Melanie; Clubb, Robert
Citation: Weiner, Ethan; Robson, Scott; Marohn, Melanie; Clubb, Robert. "The Sortase A Enzyme That Attaches Proteins to the Cell Wall of Bacillus anthracis Contains an Unusual Active Site Architecture" J. Biol. Chem. 285, 23433-23443 (2010).
Assembly members:
Ba-SrtA, polymer, 210 residues, Formula weight is not available
Natural source: Common Name: anthrax Taxonomy ID: 1392 Superkingdom: Bacteria Kingdom: not available Genus/species: Bacillus anthracis
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
Ba-SrtA: MNKQRIYSIVAILLFVVGGV
LIGKPFYDGYQAEKKQTENV
QAVQKMDYEKHETEFVDASK
IDQPDLAEVANASLDKKQVI
GRISIPSVSLELPVLKSSTE
KNLLSGAATVKENQVMGKGN
YALAGHNMSKKGVLFSDIAS
LKKGDKIYLYDNENEYEYAV
TGVSEVTPDKWEVVEDHGKD
EITLITCVSVKDNSKRYVVA
GDLVGTKAKK
- assigned_chemical_shifts
- order_parameters
| Data type | Count |
| order parameters | 91 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | Ba-SrtA | 1 |
Entities:
Entity 1, Ba-SrtA 210 residues - Formula weight is not available
| 1 | MET | ASN | LYS | GLN | ARG | ILE | TYR | SER | ILE | VAL | |
| 2 | ALA | ILE | LEU | LEU | PHE | VAL | VAL | GLY | GLY | VAL | |
| 3 | LEU | ILE | GLY | LYS | PRO | PHE | TYR | ASP | GLY | TYR | |
| 4 | GLN | ALA | GLU | LYS | LYS | GLN | THR | GLU | ASN | VAL | |
| 5 | GLN | ALA | VAL | GLN | LYS | MET | ASP | TYR | GLU | LYS | |
| 6 | HIS | GLU | THR | GLU | PHE | VAL | ASP | ALA | SER | LYS | |
| 7 | ILE | ASP | GLN | PRO | ASP | LEU | ALA | GLU | VAL | ALA | |
| 8 | ASN | ALA | SER | LEU | ASP | LYS | LYS | GLN | VAL | ILE | |
| 9 | GLY | ARG | ILE | SER | ILE | PRO | SER | VAL | SER | LEU | |
| 10 | GLU | LEU | PRO | VAL | LEU | LYS | SER | SER | THR | GLU | |
| 11 | LYS | ASN | LEU | LEU | SER | GLY | ALA | ALA | THR | VAL | |
| 12 | LYS | GLU | ASN | GLN | VAL | MET | GLY | LYS | GLY | ASN | |
| 13 | TYR | ALA | LEU | ALA | GLY | HIS | ASN | MET | SER | LYS | |
| 14 | LYS | GLY | VAL | LEU | PHE | SER | ASP | ILE | ALA | SER | |
| 15 | LEU | LYS | LYS | GLY | ASP | LYS | ILE | TYR | LEU | TYR | |
| 16 | ASP | ASN | GLU | ASN | GLU | TYR | GLU | TYR | ALA | VAL | |
| 17 | THR | GLY | VAL | SER | GLU | VAL | THR | PRO | ASP | LYS | |
| 18 | TRP | GLU | VAL | VAL | GLU | ASP | HIS | GLY | LYS | ASP | |
| 19 | GLU | ILE | THR | LEU | ILE | THR | CYS | VAL | SER | VAL | |
| 20 | LYS | ASP | ASN | SER | LYS | ARG | TYR | VAL | VAL | ALA | |
| 21 | GLY | ASP | LEU | VAL | GLY | THR | LYS | ALA | LYS | LYS |
Samples:
sample_1: Ba-SrtA, [U-100% 15N], 4 mM; MES 10 mM; BisTris 20 mM; D2O 7%; H2O 93%
sample_2: Ba-SrtA, [U-100% 13C; U-100% 15N], 2.5 mM; MES 10 mM; BisTris 20 mM; D2O 7%; H2O 93%
sample_3: Ba-SrtA, [U-100% 13C; U-100% 15N], 2.5 mM; MES 10 mM; BisTris 20 mM; D2O 100%
sample_conditions_1: temperature: 298 K; pH: 6.0; pressure: 1 atm
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC 1 | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-15N HSQC 2 | sample_2 | isotropic | sample_conditions_1 |
| 2D 1H-15N HSQC 3 | sample_3 | isotropic | sample_conditions_1 |
| 15N-{1H} NOE 1 | sample_1 | isotropic | sample_conditions_1 |
| 15N-{1H} NOE 2 | sample_2 | isotropic | sample_conditions_1 |
| 15N-{1H} NOE 3 | sample_3 | isotropic | sample_conditions_1 |
Software:
Modelfree v4.20, Palmer - Model-free analysis
NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
PIPP, Garrett - data analysis
CARA, Keller and Wuthrich - data analysis
SPARKY, Goddard - data analysis
NMR spectrometers:
- Bruker Avance 600 MHz