BMRB Entry 26535
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR26535
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Title: Assignment of the BeF3-activated PmrA response regulator from Klebsiella pneumoniae in complex with the promoter DNA PubMed: 26564787
Deposition date: 2015-03-09 Original release date: 2015-11-12
Authors: Lou, Yuan-Chao; Kao, Yi-Fen; Chen, Chinpan
Citation: Lou, Yuan-Chao; Weng, Tsai-Hsuan; Li, Yi-Chuan; Kao, Yi-Fen; Chou, Shan-Ho; Hsiao, Chwan-Deng; Chen, Chinpan. "Structure and dynamics of polymyxin-resistance-associated response regulator PmrA in complex with promoter DNA" Nat. Commun. 6, 8838-8838 (2015).
Assembly members:
PmrA, polymer, 231 residues, Formula weight is not available
DNA, polymer, 25 residues, Formula weight is not available
BERYLLIUM TRIFLUORIDE ION, non-polymer, 66.007 Da.
Natural source: Common Name: enterobacteria Taxonomy ID: 573 Superkingdom: Bacteria Kingdom: not available Genus/species: klebsiella pneumoniae
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
PmrA: MKILVIEDDALLLQGLILAM
QSEGYVCDGVSTAHEAALSL
ASNHYSLIVLDLGLPDEDGL
HFLSRMRREKMTQPVLILTA
RDTLEDRISGLDTGADDYLV
KPFALEELNARIRALLRRHN
NQGDNEISVGNLRLNVTRRL
VWLGETALDLTPKEYALLSR
LMMKAGSPVHREILYNDIYS
GDNEPATNTLEVHIHNLREK
IGKSRIRTVRGFGYMLANND
DTELEHHHHHH
DNA: ATTTCTTAATATTATCCTAA
GCAAG
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 502 |
| 15N chemical shifts | 200 |
| 1H chemical shifts | 497 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | subunit 1 | 1 |
| 2 | subunit 2 | 1 |
| 3 | DNA | 2 |
| 4 | BERYLLIUM TRIFLUORIDE ION | 3 |
Entities:
Entity 1, subunit 1 231 residues - Formula weight is not available
| 1 | MET | LYS | ILE | LEU | VAL | ILE | GLU | ASP | ASP | ALA | ||||
| 2 | LEU | LEU | LEU | GLN | GLY | LEU | ILE | LEU | ALA | MET | ||||
| 3 | GLN | SER | GLU | GLY | TYR | VAL | CYS | ASP | GLY | VAL | ||||
| 4 | SER | THR | ALA | HIS | GLU | ALA | ALA | LEU | SER | LEU | ||||
| 5 | ALA | SER | ASN | HIS | TYR | SER | LEU | ILE | VAL | LEU | ||||
| 6 | ASP | LEU | GLY | LEU | PRO | ASP | GLU | ASP | GLY | LEU | ||||
| 7 | HIS | PHE | LEU | SER | ARG | MET | ARG | ARG | GLU | LYS | ||||
| 8 | MET | THR | GLN | PRO | VAL | LEU | ILE | LEU | THR | ALA | ||||
| 9 | ARG | ASP | THR | LEU | GLU | ASP | ARG | ILE | SER | GLY | ||||
| 10 | LEU | ASP | THR | GLY | ALA | ASP | ASP | TYR | LEU | VAL | ||||
| 11 | LYS | PRO | PHE | ALA | LEU | GLU | GLU | LEU | ASN | ALA | ||||
| 12 | ARG | ILE | ARG | ALA | LEU | LEU | ARG | ARG | HIS | ASN | ||||
| 13 | ASN | GLN | GLY | ASP | ASN | GLU | ILE | SER | VAL | GLY | ||||
| 14 | ASN | LEU | ARG | LEU | ASN | VAL | THR | ARG | ARG | LEU | ||||
| 15 | VAL | TRP | LEU | GLY | GLU | THR | ALA | LEU | ASP | LEU | ||||
| 16 | THR | PRO | LYS | GLU | TYR | ALA | LEU | LEU | SER | ARG | ||||
| 17 | LEU | MET | MET | LYS | ALA | GLY | SER | PRO | VAL | HIS | ||||
| 18 | ARG | GLU | ILE | LEU | TYR | ASN | ASP | ILE | TYR | SER | ||||
| 19 | GLY | ASP | ASN | GLU | PRO | ALA | THR | ASN | THR | LEU | ||||
| 20 | GLU | VAL | HIS | ILE | HIS | ASN | LEU | ARG | GLU | LYS | ||||
| 21 | ILE | GLY | LYS | SER | ARG | ILE | ARG | THR | VAL | ARG | ||||
| 22 | GLY | PHE | GLY | TYR | MET | LEU | ALA | ASN | ASN | ASP | ||||
| 23 | ASP | THR | GLU | LEU | GLU | HIS | HIS | HIS | HIS | HIS | ||||
| 24 | HIS |
Entity 2, DNA 25 residues - Formula weight is not available
| 1 | DA | DT | DT | DT | DC | DT | DT | DA | DA | DT | ||||
| 2 | DA | DT | DT | DA | DT | DC | DC | DT | DA | DA | ||||
| 3 | DG | DC | DA | DA | DG |
Entity 3, BERYLLIUM TRIFLUORIDE ION - Be F3 - 66.007 Da.
| 1 | BEF |
Samples:
sample_1: PmrA, [U-99% 13C; U-99% 15N; U-95% 2H]], 0.5 mM; DNA 0.5 mM; TRIS 20 mM; NaCl 100 mM; H2O 90%; D2O 10%
sample_conditions_1: ionic strength: 0.22 M; pH: 8.0; pressure: 1 atm; temperature: 310 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 |
Software:
TOPSPIN, Bruker Biospin - collection
NMRView, Johnson, One Moon Scientific - chemical shift assignment
NMR spectrometers:
- Bruker Avance 850 MHz
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts