BMRB Entry 11024
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR11024
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Title: NMR STRUCTURE OF THE S. AUREUS VRAR DNA BINDING DOMAIN PubMed: 18293926
Deposition date: 2008-01-08 Original release date: 2008-03-05
Authors: Donaldson, Logan
Citation: Donaldson, Logan. "THE NMR STRUCTURE OF STAPHYLOCOCCUS AUREUS RESPONSE REGULATOR VRAR DNA BINDING DOMAIN REVEALS A DYNAMIC RELATIONSHIP BETWEEN IT AND ITS ASSOCIATED RECEIVER DOMAIN" Biochemistry 47, 3379-3388 (2008).
Assembly members:
VRAR DNA binding domain, polymer, 91 residues, 7724.955 Da.
Natural source: Common Name: Staphylococcus aureus Taxonomy ID: 158878 Superkingdom: Bacteria Kingdom: not available Genus/species: Staphylococcus aureus
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
VRAR DNA binding domain: GSSHHHHHHSSGLVPRGSHM
KKRAELYEMLTEREMEILLL
IAKGYSNQEIASASHITIKT
VKTHVSNILSKLEVQDRTQA
VIYAFQHNLIQ
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 262 |
| 15N chemical shifts | 60 |
| 1H chemical shifts | 330 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | VRAR DNA binding domain | 1 |
Entities:
Entity 1, VRAR DNA binding domain 91 residues - 7724.955 Da.
| 1 | GLY | SER | SER | HIS | HIS | HIS | HIS | HIS | HIS | SER | ||||
| 2 | SER | GLY | LEU | VAL | PRO | ARG | GLY | SER | HIS | MET | ||||
| 3 | LYS | LYS | ARG | ALA | GLU | LEU | TYR | GLU | MET | LEU | ||||
| 4 | THR | GLU | ARG | GLU | MET | GLU | ILE | LEU | LEU | LEU | ||||
| 5 | ILE | ALA | LYS | GLY | TYR | SER | ASN | GLN | GLU | ILE | ||||
| 6 | ALA | SER | ALA | SER | HIS | ILE | THR | ILE | LYS | THR | ||||
| 7 | VAL | LYS | THR | HIS | VAL | SER | ASN | ILE | LEU | SER | ||||
| 8 | LYS | LEU | GLU | VAL | GLN | ASP | ARG | THR | GLN | ALA | ||||
| 9 | VAL | ILE | TYR | ALA | PHE | GLN | HIS | ASN | LEU | ILE | ||||
| 10 | GLN |
Samples:
sample_1: VRAR DNA binding domain, [U-98% 13C; U-98% 15N], 0.3 mM; sodium phosphate 10 mM; sodium chloride 750 mM; sodium azide 0.05%; H2O 90%; D2O 10%
sample_conditions_1: ionic strength: 0.5 M; pH: 7.8; pressure: 1 atm; temperature: 308 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 HNCO | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCACB | 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 HCCH-TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-13C NOESY | sample_1 | isotropic | sample_conditions_1 |
| 2D (HB)CB(CGCD)HD | sample_1 | isotropic | sample_conditions_1 |
| 2D (HB)CB(CGCDCE)HE | sample_1 | isotropic | sample_conditions_1 |
Software:
CYANA v2.1, Guntert, Mumenthaler and Wuthrich - peak picking, structure solution
NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
PISTACHIO, Eghbalnia, Bahrami, Wang, Assadi and Markley - chemical shift assignment
X-PLOR NIH, Schwieters, Kuszewski, Tjandra and Clore - refinement
NMRView, Johnson, One Moon Scientific - peak picking
NMR spectrometers:
- Varian NMRS 600 MHz
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts