BMRB Entry 15410
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR15410
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Title: Backbone 1H, 13C, and 15N Chemical Shift Assignments for human ubiquitin PubMed: 18311971
Deposition date: 2007-07-30 Original release date: 2008-03-14
Authors: Jaravine, Victor; Zhuravleva, Anastasia; Permi, Perttu; Ibraghimov, Ilgis; Orekhov, Vladislav
Citation: Jaravine, Victor; Zhuravleva, Anastasia; Permi, Perttu; Ibraghimov, Ilgis; Orekhov, Vladislav. "Hyperdimensional NMR Spectroscopy with Nonlinear Sampling." J. Am. Chem. Soc. 130, 3927-3936 (2008).
Assembly members:
Ubi, polymer, 76 residues, Formula weight is not available
Natural source: Common Name: Human Taxonomy ID: 9606 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Homo sapiens
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
Ubi: MQIFVKTLTGKTITLEVEPS
DTIENVKAKIQDKEGIPPDQ
QRLIFAGKQLEDGRTLSDYN
IQKESTLHLVLRLRGG
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 214 |
| 15N chemical shifts | 70 |
| 1H chemical shifts | 70 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | Ubi | 1 |
Entities:
Entity 1, Ubi 76 residues - Formula weight is not available
| 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 | LEU | ARG | GLY | GLY |
Samples:
sample_1: Ubi, [U-13C; U-15N], 1.7 mM; Phosphate 20 mM; H2O 90%; D2O 10%
sample_conditions_1: ionic strength: 0.02 M; pH: 4.6; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 3D HNCO | sample_1 | isotropic | sample_conditions_1 |
| 3D HN(CO)CA | sample_1 | isotropic | sample_conditions_1 |
| 3D CBCA(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D iHNCA | sample_1 | isotropic | sample_conditions_1 |
| 3D iHN(CA)CB | sample_1 | isotropic | sample_conditions_1 |
Software:
NMRPipe v2.6, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - peak picking, processing
AutoAssign v2.3.0, Zimmerman, Moseley, Kulikowski and Montelione - chemical shift assignment
MDD v1.3, (MDDnmr) V.Orekhov, V.Jaravine - data analysis, processing
NMR spectrometers:
- Varian INOVA 800 MHz
Related Database Links:
| BMRB | 11505 11547 15047 15689 15907 16228 16582 16626 16895 17181 17439 17769 17919 18582 18583 18584 18610 18611 18737 19406 19412 25070 25123 25601 26604 4245 4375 |
| PDB | |
| DBJ | BAA03983 BAA09860 BAA11842 BAA11843 BAA23486 |
| EMBL | CAA25706 CAA26488 CAA28495 CAA30183 CAA30815 |
| GB | AAA02769 AAA28154 AAA28997 AAA28998 AAA28999 |
| PIR | I50437 I51568 I65237 JN0790 S13928 |
| PRF | 0412265A 1101405A 1212243A 1212243B 1212243C |
| 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 |
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts