BMRB Entry 5873
Chem Shift validation: AVS_anomalous, AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR5873
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Title: Backbone and side chains 1H, 13C, and 15N Chemical Shift Assignments for BlaI-NTD PubMed: 14568532
Deposition date: 2003-07-18 Original release date: 2004-07-07
Authors: Van Melckebeke, Helene; Vreuls, Christelle; Gans, Pierre; Filee, Patrice; Llabres, Gabriel; Joris, Bernard; Simorre, Jean-Pierre
Citation: Van Melckebeke, Helene; Vreuls, Christelle; Gans, Pierre; Filee, Patrice; Llabres, Gabriel; Joris, Bernard; Simorre, Jean-Pierre. "Solution Structural Study of BlaI : Implications for the Repression of Genes Involved in Beta-lactam Antibiotic Resistance" J. Mol. Biol. 333, 711-720 (2003).
Assembly members:
b-lactamase gene repressor, polymer, 82 residues, Formula weight is not available
Natural source: Common Name: Bacillus licheniformis Taxonomy ID: 1402 Superkingdom: Eubacteria Kingdom: not available Genus/species: Bacillus licheniformis
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
b-lactamase gene repressor: MKKIPQISDAELEVMKVIWK
HSSINTNEVIKELSKTSTWS
PKTIQTMLLRLIKKGALNHH
KEGRVFVYTPNIDESDYIEV
KS
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 513 |
| 13C chemical shifts | 351 |
| 15N chemical shifts | 76 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | BlaI-NTD | 1 |
Entities:
Entity 1, BlaI-NTD 82 residues - Formula weight is not available
| 1 | MET | LYS | LYS | ILE | PRO | GLN | ILE | SER | ASP | ALA | ||||
| 2 | GLU | LEU | GLU | VAL | MET | LYS | VAL | ILE | TRP | LYS | ||||
| 3 | HIS | SER | SER | ILE | ASN | THR | ASN | GLU | VAL | ILE | ||||
| 4 | LYS | GLU | LEU | SER | LYS | THR | SER | THR | TRP | SER | ||||
| 5 | PRO | LYS | THR | ILE | GLN | THR | MET | LEU | LEU | ARG | ||||
| 6 | LEU | ILE | LYS | LYS | GLY | ALA | LEU | ASN | HIS | HIS | ||||
| 7 | LYS | GLU | GLY | ARG | VAL | PHE | VAL | TYR | THR | PRO | ||||
| 8 | ASN | ILE | ASP | GLU | SER | ASP | TYR | ILE | GLU | VAL | ||||
| 9 | LYS | SER |
Samples:
sample_1: b-lactamase gene repressor, [U-13C; U-15N], 0.5 mM; phosphate buffer 75 mM; KCl 300 mM; H2O 90%; D2O 10%
sample_2: b-lactamase gene repressor, [U-15N], 0.75 mM
set_condition_1: pH: 7.6 na; temperature: 298 K; ionic strength: 375 mM
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| HNCA | not available | not available | not available |
| HNCO | not available | not available | not available |
| HN(CA)CO | not available | not available | not available |
| CBCANH | not available | not available | not available |
| CBCA(CO)NH | not available | not available | not available |
| (H)C(CO)NH-TOCSY | not available | not available | not available |
| H(CCO)NH-TOCSY | not available | not available | not available |
| 1H-15N HSQC | not available | not available | not available |
| H(C)CH-TOCSY | not available | not available | not available |
| 2D-NOESY | not available | not available | not available |
Software:
FELIX v2000 -
NMR spectrometers:
- Varian INOVA 600 MHz
- Varian INOVA 800 MHz
Related Database Links:
| PDB | |
| GB | AAA22648 AAA22650 AAU21886 AAU39238 AGN34711 |
| REF | WP_003178582 WP_020449991 WP_026585720 YP_006711714 YP_008076448 |
| SP | P06555 |
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts