BMRB Entry 34918
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR34918
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NMR-STAR v3 text file.
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Title: SOLUTION STRUCTURE OF 6XHIS-TAGGED WILD-TYPE GAUSSIA LUCIFERASE
Deposition date: 2024-06-04 Original release date: 2024-07-12
Authors: Dijkema, F.; Prestel, A.; Winther, J.; Teilum, K.
Citation: Dijkema, F.; Escarpizo-Lorenzanam, M.; Nordentoft, M.; Rabe, H.; Sahin, C.; Landreh, M.; Branca, R.; Sorensen, E.; Christensen, B.; Prestel, A.; Teilum, K.; Winther, J.. "A suicidal and extensively disordered luciferase with a bright luminescence" .
Assembly members:
entity_1, polymer, 175 residues, 19155.137 Da.
Natural source: Common Name: Gaussia princeps Taxonomy ID: 148582 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Gaussia princeps
Experimental source: Production method: recombinant technology Host organism: Escherichia coli BL21(DE3)
Entity Sequences (FASTA):
entity_1: MHHHHHHKPTENNEDFNIVA
VASNFATTDLDADRGKLPGK
KLPLEVLKEMEANARKAGCT
RGCLICLSHIKCTPKMKKFI
PGRCHTYEGDKESAQGGIGE
AIVDIPEIPGFKDLEPMEQF
IAQVDLCVDCTTGCLKGLAN
VQCSDLLKKWLPQRCATFAS
KIQGQVDKIKGAGGD
- assigned_chemical_shifts
- spectral_peak_list
| Data type | Count |
| 13C chemical shifts | 488 |
| 15N chemical shifts | 129 |
| 1H chemical shifts | 696 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | unit_1 | 1 |
Entities:
Entity 1, unit_1 175 residues - 19155.137 Da.
| 1 | MET | HIS | HIS | HIS | HIS | HIS | HIS | LYS | PRO | THR | ||||
| 2 | GLU | ASN | ASN | GLU | ASP | PHE | ASN | ILE | VAL | ALA | ||||
| 3 | VAL | ALA | SER | ASN | PHE | ALA | THR | THR | ASP | LEU | ||||
| 4 | ASP | ALA | ASP | ARG | GLY | LYS | LEU | PRO | GLY | LYS | ||||
| 5 | LYS | LEU | PRO | LEU | GLU | VAL | LEU | LYS | GLU | MET | ||||
| 6 | GLU | ALA | ASN | ALA | ARG | LYS | ALA | GLY | CYS | THR | ||||
| 7 | ARG | GLY | CYS | LEU | ILE | CYS | LEU | SER | HIS | ILE | ||||
| 8 | LYS | CYS | THR | PRO | LYS | MET | LYS | LYS | PHE | ILE | ||||
| 9 | PRO | GLY | ARG | CYS | HIS | THR | TYR | GLU | GLY | ASP | ||||
| 10 | LYS | GLU | SER | ALA | GLN | GLY | GLY | ILE | GLY | GLU | ||||
| 11 | ALA | ILE | VAL | ASP | ILE | PRO | GLU | ILE | PRO | GLY | ||||
| 12 | PHE | LYS | ASP | LEU | GLU | PRO | MET | GLU | GLN | PHE | ||||
| 13 | ILE | ALA | GLN | VAL | ASP | LEU | CYS | VAL | ASP | CYS | ||||
| 14 | THR | THR | GLY | CYS | LEU | LYS | GLY | LEU | ALA | ASN | ||||
| 15 | VAL | GLN | CYS | SER | ASP | LEU | LEU | LYS | LYS | TRP | ||||
| 16 | LEU | PRO | GLN | ARG | CYS | ALA | THR | PHE | ALA | SER | ||||
| 17 | LYS | ILE | GLN | GLY | GLN | VAL | ASP | LYS | ILE | LYS | ||||
| 18 | GLY | ALA | GLY | GLY | ASP |
Samples:
sample_1: GAUSSIA LUCIFERASE, [U-15N; U-13C], 0.8 mM; sodium azide 0.02%; sodium dihydrogen phosphate 50 mM; sodium trimethylsilylpropanesulfonate (DSS) 0.125 mM; sodium hydroxide 7.5 mM
sample_conditions_1: ionic strength: 57.6 mM; pH: 6.0; pressure: 1 atm; temperature: 308.15 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 3D 1H-13C NOESY aliphatic | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-13C NOESY aromatic | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-15N NOESY | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCACB | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCACO | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC aliphatic | sample_1 | isotropic | sample_conditions_1 |
| 3D HBHA(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D HN(COCA)CB | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCO | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC aromatic | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
Software:
NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
X-PLOR NIH, Schwieters, Kuszewski, Tjandra and Clore - refinement
CYANA, Guntert, Mumenthaler and Wuthrich - structure calculation
CcpNmr Analysis, CcpNmr - peak picking
NMR spectrometers:
- Bruker AVANCE III HD 750 MHz
Download HSQC peak lists in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts