BMRB Entry 25123
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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/BMR25123
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Title: 13C,15N solid-state NMR chemical shift assignments for microcrystallized Ubiquitin in MPD PubMed: 25644665
Deposition date: 2014-08-04 Original release date: 2015-02-16
Authors: Fasshuber, Hannes; Lakomek, Nils-Alexander; Habenstein, Birgit; Loquet, Antoine; Shi, Chaowei; Giller, Karin; Wolff, Sebastian; Becker, Stefan; Lange, Adam
Citation: Fasshuber, Hannes; Lakomek, Nils-Alexander; Habenstein, Birgit; Loquet, Antoine; Shi, Chaowei; Giller, Karin; Wolff, Sebastian; Becker, Stefan; Lange, Adam. "Structural heterogeneity in microcrystalline ubiquitin studied by solid-state NMR" Protein Sci. 24, 592-598 (2015).
Assembly members:
Ubiquitin, polymer, 72 residues, 8192.456 Da.
Natural source: Common Name: E. coli Taxonomy ID: 562 Superkingdom: Bacteria Kingdom: not available Genus/species: Escherichia coli
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
Ubiquitin: MQIFVKTLTGKTITLEVEPS
DTIENVKAKIQDKEGIPPDQ
QRLIFAGKQLEDGRTLSDYN
IQKESTLHLVLR
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 337 |
| 15N chemical shifts | 71 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | Ubiquitin | 1 |
Entities:
Entity 1, Ubiquitin 72 residues - 8192.456 Da.
| 1 | MET | GLN | ILE | PHE | VAL | LYS | THR | LEU | THR | GLY | ||||
| 2 | LYS | THR | ILE | THR | LEU | GLU | VAL | GLU | PRO | SER | ||||
| 3 | ASP | THR | ILE | GLU | ASN | VAL | LYS | ALA | LYS | ILE | ||||
| 4 | GLN | ASP | LYS | GLU | GLY | ILE | PRO | PRO | ASP | GLN | ||||
| 5 | GLN | ARG | LEU | ILE | PHE | ALA | GLY | LYS | GLN | LEU | ||||
| 6 | GLU | ASP | GLY | ARG | THR | LEU | SER | ASP | TYR | ASN | ||||
| 7 | ILE | GLN | LYS | GLU | SER | THR | LEU | HIS | LEU | VAL | ||||
| 8 | LEU | ARG |
Samples:
Ubiquitin-unif: Ubiquitin, [U-100% 13C; U-100% 15N], 20 mg; MPD 40 % v/v; CdCl2 0.2 M; DSS 1 mg; H2O 100%
Ubiquitin-1glc: Ubiquitin, [1-glucose 13C,U-100% 15N], 30 mg; MPD 40 % v/v; CdCl2 0.2 M; DSS 1 mg; H2O 100%
Ubiquitin-2glc: Ubiquitin, [2-glucose 13C,U-100% 15N], 40 mg; MPD 40 % v/v; CdCl2 0.2 M; DSS 1 mg; H2O 100%
Ubiquitin_conditions_1: pressure: 1 atm; temperature: 273 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| PDSD | Ubiquitin-unif | isotropic | Ubiquitin_conditions_1 |
| PDSD | Ubiquitin-unif | isotropic | Ubiquitin_conditions_1 |
| NCA | Ubiquitin-unif | isotropic | Ubiquitin_conditions_1 |
| NCO | Ubiquitin-unif | isotropic | Ubiquitin_conditions_1 |
| INEPT | Ubiquitin-unif | isotropic | Ubiquitin_conditions_1 |
| NCACX | Ubiquitin-unif | isotropic | Ubiquitin_conditions_1 |
| NCOCX | Ubiquitin-unif | isotropic | Ubiquitin_conditions_1 |
| PDSD | Ubiquitin-1glc | isotropic | Ubiquitin_conditions_1 |
| PDSD | Ubiquitin-1glc | isotropic | Ubiquitin_conditions_1 |
| PDSD | Ubiquitin-1glc | isotropic | Ubiquitin_conditions_1 |
| NCA | Ubiquitin-1glc | isotropic | Ubiquitin_conditions_1 |
| PDSD | Ubiquitin-2glc | isotropic | Ubiquitin_conditions_1 |
| PDSD | Ubiquitin-2glc | isotropic | Ubiquitin_conditions_1 |
| PDSD | Ubiquitin-2glc | isotropic | Ubiquitin_conditions_1 |
| NCA | Ubiquitin-2glc | isotropic | Ubiquitin_conditions_1 |
Software:
X-PLOR_NIH v2.36, Bhattacharya and Montelione, Bruker Biospin, Cornilescu, Delaglio and Bax, Goddard, Schwieters, Kuszewski, Tjandra and Clore - chemical shift assignment, data analysis, processing, refinement, structure validation
NMR spectrometers:
- Bruker Avance 800 MHz
- Bruker Avance 850 MHz
- Bruker Avance 600 MHz
Related Database Links:
| BMRB | 11505 11547 15047 15410 15689 15907 16228 16582 16626 16895 17181 17439 17769 17919 18582 18583 18584 18610 18611 18737 19406 19412 25070 25601 26604 4245 4375 |
| PDB | |
| DBJ | BAA03983 BAA09860 BAA11842 BAA11843 BAA23486 |
| EMBL | CAA26488 CAA28495 CAA30183 CAA30815 CAA33466 |
| GB | AAA02769 AAA28153 AAA28154 AAA28997 AAA28998 |
| PIR | I50437 I51568 I65237 JN0790 S13928 |
| PRF | 0412265A 1212243A 1212243B 1212243C 1212243D |
| REF | NP_001005123 NP_001006688 NP_001009117 NP_001009202 NP_001009286 |
| SP | P0C273 P0C275 P0C276 P0CG47 P0CG48 |
| TPD | FAA00319 |
| TPE | CEL68433 CEL70397 CEL75964 CEL78064 |
| TPG | DAA18802 DAA20663 DAA20672 DAA24675 DAA28295 |