BMRB Entry 11042
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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/BMR11042
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Title: Assigned chemical shifts of RelE
Deposition date: 2008-04-08 Original release date: 2010-03-11
Authors: Suzuki, Sakura; Kawazoe, Masahito; Kaminishi, Tatsuya; Takemoto, Chie; Muto, Yutaka; Shirouzu, Mikako; Yokoyama, Shigeyuki
Citation: Suzuki, Sakura; Kawazoe, Masahito; Kaminishi, Tatsuya; Takemoto, Chie; Muto, Yutaka; Shirouzu, Mikako; Yokoyama, Shigeyuki. "." . ., .-..
Assembly members:
RelE, polymer, 89 residues, 10745.523 Da.
Natural source: Common Name: Thermus thermophilus Taxonomy ID: 274 Superkingdom: Bacteria Kingdom: not available Genus/species: Thermus thermophilus
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
RelE: MGYRIEFDPRAEKELEKLDR
EVARRILRFLRERVATLEDP
RSLGEPLRGPELGRFWKYRV
GDYRLICHIQDREATVLVLR
VGHARDVYR
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 417 |
| 15N chemical shifts | 86 |
| 1H chemical shifts | 656 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | RelE | 1 |
Entities:
Entity 1, RelE 89 residues - 10745.523 Da.
| 1 | MET | GLY | TYR | ARG | ILE | GLU | PHE | ASP | PRO | ARG | ||||
| 2 | ALA | GLU | LYS | GLU | LEU | GLU | LYS | LEU | ASP | ARG | ||||
| 3 | GLU | VAL | ALA | ARG | ARG | ILE | LEU | ARG | PHE | LEU | ||||
| 4 | ARG | GLU | ARG | VAL | ALA | THR | LEU | GLU | ASP | PRO | ||||
| 5 | ARG | SER | LEU | GLY | GLU | PRO | LEU | ARG | GLY | PRO | ||||
| 6 | GLU | LEU | GLY | ARG | PHE | TRP | LYS | TYR | ARG | VAL | ||||
| 7 | GLY | ASP | TYR | ARG | LEU | ILE | CYS | HIS | ILE | GLN | ||||
| 8 | ASP | ARG | GLU | ALA | THR | VAL | LEU | VAL | LEU | ARG | ||||
| 9 | VAL | GLY | HIS | ALA | ARG | ASP | VAL | TYR | ARG |
Samples:
sample_1: RelE, [U-100% 13C; U-100% 15N], 0.4 mM; d-Tris-HCl, [U-2H], 20 mM; sodium chloride 100 mM; d-DTT, [U-2H], 5 mM; H2O 90%; D2O 10%
sample_conditions_1: ionic strength: 120 mM; pH: 7.0; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 3D 1H-15N NOESY | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-13C NOESY | sample_1 | isotropic | sample_conditions_1 |
Software:
xwinnmr v3.5, Bruker Biospin - collection
NMRPipe v20060702, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
NMRView v5.0.4, Johnson, One Moon Scientific - data analysis
Kujira v0.9839, Kobayashi, N. - data analysis
Olivia v1.14.3, Yokochi, M - chemical shift assignment
CYANA v2.0.17, Guntert, Mumenthaler and Wuthrich - structure solution
SPARKY v3.110, Goddard - data analysis
NMR spectrometers:
- Bruker Avance 800 MHz
Related Database Links:
| PDB | |
| DBJ | BAD12123 BAD72060 |
| REF | NP_990873 WP_011171672 WP_011279285 YP_001688116 YP_145503 |
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts