BMRB Entry 18531
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS, SPARTA
BMRB Entry DOI: doi:10.13018/BMR18531
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Title: Three-State Ensemble obtained from eNOEs of the Third Immunoglobulin Binding Domain of Protein G (GB3) PubMed: 22940676
Deposition date: 2012-06-18 Original release date: 2012-07-13
Authors: Vogeli, Beat; Kazemi, Sina; Guntert, Peter; Riek, Roland
Citation: Vogeli, Beat; Kazemi, Sina; Guntert, Peter; Riek, Roland. "Spatial elucidation of motion in proteins by ensemble-based structure calculation using exact NOEs." Nat. Struct. Mol. Biol. 19, 1053-1057 (2012).
Assembly members:
GB3, polymer, 56 residues, 6214.909 Da.
Natural source: Common Name: Firmicutes Taxonomy ID: 1306 Superkingdom: Bacteria Kingdom: not available Genus/species: Streptococcus not available
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
GB3: MQYKLVINGKTLKGETTTKA
VDAETAEKAFKQYANDNGVD
GVWTYDDATKTFTVTE
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 185 |
| 15N chemical shifts | 54 |
| 1H chemical shifts | 386 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | GB3 | 1 |
Entities:
Entity 1, GB3 56 residues - 6214.909 Da.
| 1 | MET | GLN | TYR | LYS | LEU | VAL | ILE | ASN | GLY | LYS | ||||
| 2 | THR | LEU | LYS | GLY | GLU | THR | THR | THR | LYS | ALA | ||||
| 3 | VAL | ASP | ALA | GLU | THR | ALA | GLU | LYS | ALA | PHE | ||||
| 4 | LYS | GLN | TYR | ALA | ASN | ASP | ASN | GLY | VAL | ASP | ||||
| 5 | GLY | VAL | TRP | THR | TYR | ASP | ASP | ALA | THR | LYS | ||||
| 6 | THR | PHE | THR | VAL | THR | GLU |
Samples:
sample_1: GB3, [U-95% 13C; U-95% 15N], 4 mM; potassium phosphate 50 mM; sodium azide 0.5 mg/mL; sodium chloride 50 mM; H2O 97%; D2O 3%
sample_conditions_1: ionic strength: 0.05 M; pH: 6.5; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 3D [13C,15N]-resolved NOESY | sample_1 | isotropic | sample_conditions_1 |
| 3D [15N]-resolved NOESY | sample_1 | isotropic | sample_conditions_1 |
| 3D [15N]-resolved NOESY | sample_1 | isotropic | sample_conditions_1 |
Software:
CYANA vnot released, Guntert, Mumenthaler and Wuthrich - refinement, structure solution
NMR spectrometers:
- Bruker Avance 700 MHz
- Bruker Avance 900 MHz
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