BMRB Entry 25918
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, LACS, SPARTA
BMRB Entry DOI: doi:10.13018/BMR25918
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Title: Solution NMR structure of Erythrobacter litoralis PhyR response regulator REC domain PubMed: 27524295
Deposition date: 2015-12-09 Original release date: 2016-09-01
Authors: Correa, Fernando; Gardner, Kevin
Citation: Correa, Fernando; Gardner, Kevin. "Basis of Mutual Domain Inhibition in a Bacterial Response Regulator" Cell Chem. Biol. S2451-9456, 30240-30249 (2016).
Assembly members:
entity, polymer, 129 residues, 13823.661 Da.
Natural source: Common Name: a-proteobacteria Taxonomy ID: 39660 Superkingdom: Bacteria Kingdom: not available Genus/species: Erythrobacter litoralis
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
entity: GAMGSTNVLIIEDEPLISMQ
LEDLVRSLGHDIAGTAATRT
QAQEAVAKEKPGLVLADIQL
ADGSSGIDAVEDILGQFDVP
VIFITAYPERLLTGDRPEPT
YLVTKPFQESTVRTTISQAL
FFQNSPTAV
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 557 |
| 15N chemical shifts | 131 |
| 1H chemical shifts | 913 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | entity | 1 |
Entities:
Entity 1, entity 129 residues - 13823.661 Da.
| 1 | GLY | ALA | MET | GLY | SER | THR | ASN | VAL | LEU | ILE | ||||
| 2 | ILE | GLU | ASP | GLU | PRO | LEU | ILE | SER | MET | GLN | ||||
| 3 | LEU | GLU | ASP | LEU | VAL | ARG | SER | LEU | GLY | HIS | ||||
| 4 | ASP | ILE | ALA | GLY | THR | ALA | ALA | THR | ARG | THR | ||||
| 5 | GLN | ALA | GLN | GLU | ALA | VAL | ALA | LYS | GLU | LYS | ||||
| 6 | PRO | GLY | LEU | VAL | LEU | ALA | ASP | ILE | GLN | LEU | ||||
| 7 | ALA | ASP | GLY | SER | SER | GLY | ILE | ASP | ALA | VAL | ||||
| 8 | GLU | ASP | ILE | LEU | GLY | GLN | PHE | ASP | VAL | PRO | ||||
| 9 | VAL | ILE | PHE | ILE | THR | ALA | TYR | PRO | GLU | ARG | ||||
| 10 | LEU | LEU | THR | GLY | ASP | ARG | PRO | GLU | PRO | THR | ||||
| 11 | TYR | LEU | VAL | THR | LYS | PRO | PHE | GLN | GLU | SER | ||||
| 12 | THR | VAL | ARG | THR | THR | ILE | SER | GLN | ALA | LEU | ||||
| 13 | PHE | PHE | GLN | ASN | SER | PRO | THR | ALA | VAL |
Samples:
sample_1: entity, [U-99% 13C; U-99% 15N], 0.5 – 1 mM; TRIS 10 mM; sodium chloride 50 mM; H2O 90 mM; D2O 10 mM
sample_conditions_1: ionic strength: 0.05 M; pH: 7; pressure: 1 atm; temperature: 298.15 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 HNCO | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCACB | 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 H(CCO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D HCCH-TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-15N NOESY | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-13C NOESY | sample_1 | isotropic | sample_conditions_1 |
Software:
ARIA, Linge, O'Donoghue and Nilges - chemical shift assignment, refinement, structure solution
NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - data analysis
NMRView, Johnson, One Moon Scientific - chemical shift assignment, data analysis
VNMRJ, Varian - collection
NMR spectrometers:
- Varian INOVA 600 MHz
- Varian INOVA 800 MHz
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts