BMRB Entry 17234
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR17234
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Title: NMR structure of the DNA-binding domain of E.coli Lrp PubMed: 21338611
Deposition date: 2010-10-01 Original release date: 2011-02-24
Authors: Kawamura, Tetsuya; Zhou, Hongjun; Dahlquist, Frederick
Citation: Kawamura, Tetsuya; Vartanian, Armand; Zhou, Hongjun; Dahlquist, Frederick. "The Design Involved in PapI and Lrp Regulation of the pap Operon." J. Mol. Biol. 409, 311-332 (2011).
Assembly members:
Lrp_DNA-binding_domain, polymer, 66 residues, 7621.872 Da.
Natural source: Common Name: E. coli Taxonomy ID: 562 Superkingdom: bacteria Kingdom: not available Genus/species: Escherichia coli
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
Lrp_DNA-binding_domain: MVDSKKRPGKDLDRIDRNIL
NELQKDGRISNVELSKRVGL
SPTPCLERVRRLERQGFIQG
YTALLN
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 275 |
| 15N chemical shifts | 62 |
| 1H chemical shifts | 451 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | Lrp_DNA-binding_domain | 1 |
Entities:
Entity 1, Lrp_DNA-binding_domain 66 residues - 7621.872 Da.
| 1 | MET | VAL | ASP | SER | LYS | LYS | ARG | PRO | GLY | LYS | ||||
| 2 | ASP | LEU | ASP | ARG | ILE | ASP | ARG | ASN | ILE | LEU | ||||
| 3 | ASN | GLU | LEU | GLN | LYS | ASP | GLY | ARG | ILE | SER | ||||
| 4 | ASN | VAL | GLU | LEU | SER | LYS | ARG | VAL | GLY | LEU | ||||
| 5 | SER | PRO | THR | PRO | CYS | LEU | GLU | ARG | VAL | ARG | ||||
| 6 | ARG | LEU | GLU | ARG | GLN | GLY | PHE | ILE | GLN | GLY | ||||
| 7 | TYR | THR | ALA | LEU | LEU | ASN |
Samples:
sample_1: Lrp DNA-binding domain, [U-99% 13C; U-99% 15N], 2 mM; potassium phosphate 50 mM; beta-mercaptoethanol 5 mM; H2O 90%; D2O 10%
sample_2: Lrp DNA-binding domian, [U-99% 13C; U-99% 15N], 2 mM; potassium phosphate 50 mM; DTT 2 mM; D2O 100%
sample_3: Lrp DNA-biinding domain, [U-99% 13C; U-99% 15N], 80 – 150 uM; potassium phosphate 30 mM; beta-mercaptoethanol 2 mM; potassium chloride 20 mM; H2O 90%; D2O 10%
sample_conditions_1: ionic strength: 0.05 M; pH: 6.5; pressure: 1 atm; temperature: 273 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC | sample_1 | isotropic | sample_conditions_1 |
| 3D CBCA(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D C(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D HCCH-TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCACB | sample_1 | isotropic | sample_conditions_1 |
| 4D 15N-13C edited NOESY | sample_1 | isotropic | sample_conditions_1 |
| 4D 13C-131C edited NOESY | sample_2 | isotropic | sample_conditions_1 |
| 2D 1H-15N HSQC | sample_3 | isotropic | sample_conditions_1 |
Software:
ANSIG v3.3, Kraulis - chemical shift assignment
NMRDraw, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - data analysis
NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - data analysis
X-PLOR, Brunger - structure solution
NMR spectrometers:
- Varian INOVA 600 MHz
Related Database Links:
| PDB | |
| DBJ | BAA01880 BAA35614 BAB34397 BAE74382 BAG76471 |
| EMBL | CAA76565 CAD05359 CAG75548 CAP75362 CAQ31417 |
| GB | AAA24089 AAA75439 AAA75465 AAA75466 AAA75467 |
| PIR | AE0611 |
| REF | NP_309001 NP_415409 NP_455447 NP_459935 NP_706774 |
| SP | P0A2S0 P0ACJ0 P0ACJ1 P0ACJ2 P0ACJ3 |
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts