BMRB Entry 6457
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR6457
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Title: Validation of Protein Structure from Anisotropic Carbonyl Chemical Shifts in a Dilute Liquid Crystalline Phase
Deposition date: 2005-01-13 Original release date: 2007-03-22
Authors: Cornilescu, Gabriel; Marquardt, John; Ottiger, Marcel; Bax, Ad
Citation: Cornilescu, Gabriel; Marquardt, John; Ottiger, Marcel; Bax, Ad. "Validation of Protein Structure from Anisotropic Carbonyl Chemical Shifts in a Dilute Liquid Crystalline Phase" J. Am. Chem. Soc. 120, 6836-6837 (1998).
Assembly members:
Ubiquitin, polymer, 76 residues, 8579.94 Da.
Natural source: Common Name: Human Taxonomy ID: 9606 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Homo sapiens
Experimental source: Production method: recombinant technology
Entity Sequences (FASTA):
Ubiquitin: MQIFVKTLTGKTITLEVEPS
DTIENVKAKIQDKEGIPPDQ
QRLIFAGKQLEDGRTLSDYN
IQKESTLHLVLRLRGG
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 342 |
| 15N chemical shifts | 83 |
| 1H chemical shifts | 497 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | Ubiquitin | 1 |
Entities:
Entity 1, Ubiquitin 76 residues - 8579.94 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 | LEU | ARG | GLY | GLY |
Samples:
sample_1: Ubiquitin, [U-13C; U-15N], 0.7 mM; phosphate 10 mM; H20 93%; D20 7%; DMPC:DHPC(3:1) 5 w/v
conditions_292K: pH: 6.6; temperature: 292 K
conditions_298K: pH: 6.6; temperature: 298 K
conditions_304K: pH: 6.6; temperature: 304 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D H(N)CO | sample_1 | not available | not available |
| 1H15N_HSQC | sample_1 | not available | not available |
Software:
No software information available
NMR spectrometers:
- . . 600 MHz
Related Database Links:
| BMRB | 11505 11547 15047 15410 15689 15866 15907 16228 16582 16626 16763 16880 16885 16895 17059 17181 17239 17333 17439 17769 17919 18582 18583 18584 18610 18611 18737 19394 19399 19406 19412 19447 25070 25230 4245 4375 4983 5101 5387 6466 6470 6488 68 7111 |
| 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 |
| 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