BMRB Entry 18373
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR18373
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Title: bLac - Oceanobacillus iheyensis
Deposition date: 2012-04-02 Original release date: 2012-05-01
Authors: Ortega, Gabriel; Millet, Oscar
Citation: Ortega, Gabriel. "Exchange" J. Am. Chem. Soc. ., .-..
Assembly members:
beta_Lac_Oih, polymer, 261 residues, 29000 Da.
Natural source: Common Name: Oceanobacillus iheyensis Taxonomy ID: 182710 Superkingdom: Bacteria Kingdom: not available Genus/species: Oceanobacillus iheyensis
Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pET-16b
Entity Sequences (FASTA):
beta_Lac_Oih: MGSEDLKKLEEEFDVRLGVY
AIDTGADKEISYRENERFAY
TSTFKPLAVGAVLQTKSDEE
LEETITYSEEDLVTYSPITE
QHVDEGMTLVEIADAAIRYS
DNTAGNLLLEAMGGPDELET
ILRDIGDETIEMDRYETELN
EAKPGDIRDTSTAKAMATTL
QQYVLEDVLDADRREVLTNM
LINNTTGDALIRAGVPDGWT
VGDKTGAGGYGTRNDIGIIW
PEGDEEPIVIAIMSSRDEED
ADYDDKLIEKATEIVLQELR
N
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 444 |
| 15N chemical shifts | 229 |
| 1H chemical shifts | 229 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | bLAC | 1 |
Entities:
Entity 1, bLAC 261 residues - 29000 Da.
| 1 | MET | GLY | SER | GLU | ASP | LEU | LYS | LYS | LEU | GLU | ||||
| 2 | GLU | GLU | PHE | ASP | VAL | ARG | LEU | GLY | VAL | TYR | ||||
| 3 | ALA | ILE | ASP | THR | GLY | ALA | ASP | LYS | GLU | ILE | ||||
| 4 | SER | TYR | ARG | GLU | ASN | GLU | ARG | PHE | ALA | TYR | ||||
| 5 | THR | SER | THR | PHE | LYS | PRO | LEU | ALA | VAL | GLY | ||||
| 6 | ALA | VAL | LEU | GLN | THR | LYS | SER | ASP | GLU | GLU | ||||
| 7 | LEU | GLU | GLU | THR | ILE | THR | TYR | SER | GLU | GLU | ||||
| 8 | ASP | LEU | VAL | THR | TYR | SER | PRO | ILE | THR | GLU | ||||
| 9 | GLN | HIS | VAL | ASP | GLU | GLY | MET | THR | LEU | VAL | ||||
| 10 | GLU | ILE | ALA | ASP | ALA | ALA | ILE | ARG | TYR | SER | ||||
| 11 | ASP | ASN | THR | ALA | GLY | ASN | LEU | LEU | LEU | GLU | ||||
| 12 | ALA | MET | GLY | GLY | PRO | ASP | GLU | LEU | GLU | THR | ||||
| 13 | ILE | LEU | ARG | ASP | ILE | GLY | ASP | GLU | THR | ILE | ||||
| 14 | GLU | MET | ASP | ARG | TYR | GLU | THR | GLU | LEU | ASN | ||||
| 15 | GLU | ALA | LYS | PRO | GLY | ASP | ILE | ARG | ASP | THR | ||||
| 16 | SER | THR | ALA | LYS | ALA | MET | ALA | THR | THR | LEU | ||||
| 17 | GLN | GLN | TYR | VAL | LEU | GLU | ASP | VAL | LEU | ASP | ||||
| 18 | ALA | ASP | ARG | ARG | GLU | VAL | LEU | THR | ASN | MET | ||||
| 19 | LEU | ILE | ASN | ASN | THR | THR | GLY | ASP | ALA | LEU | ||||
| 20 | ILE | ARG | ALA | GLY | VAL | PRO | ASP | GLY | TRP | THR | ||||
| 21 | VAL | GLY | ASP | LYS | THR | GLY | ALA | GLY | GLY | TYR | ||||
| 22 | GLY | THR | ARG | ASN | ASP | ILE | GLY | ILE | ILE | TRP | ||||
| 23 | PRO | GLU | GLY | ASP | GLU | GLU | PRO | ILE | VAL | ILE | ||||
| 24 | ALA | ILE | MET | SER | SER | ARG | ASP | GLU | GLU | ASP | ||||
| 25 | ALA | ASP | TYR | ASP | ASP | LYS | LEU | ILE | GLU | LYS | ||||
| 26 | ALA | THR | GLU | ILE | VAL | LEU | GLN | GLU | LEU | ARG | ||||
| 27 | ASN |
Samples:
sample_1: beta Lac Oih, [U-100% 13C; U-100% 15N; U-80% 2H], 0.9 mM; Phosphate 20 mM; NaCl 500 mM; H2O 90%; D2O 10%
sample_conditions_1: ionic strength: 0.52 M; pH: 7.5; pressure: 1 atm; temperature: 298 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 HNCACB | sample_1 | isotropic | sample_conditions_1 |
| 3D HN(COCA)CB | sample_1 | isotropic | sample_conditions_1 |
| 3D HN(CO)CA | sample_1 | isotropic | sample_conditions_1 |
Software:
TOPSPIN, Bruker Biospin - collection
NMR spectrometers:
- Bruker Avance 800 MHz
Download HSQC peak lists in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts