BMRB Entry 18831
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS, SPARTA
BMRB Entry DOI: doi:10.13018/BMR18831
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Title: Solution structure of U14Ub1, an engineered ubiquitin variant with increased affinity for USP14 PubMed: 23801757
Deposition date: 2012-11-08 Original release date: 2013-06-24
Authors: Phillips, Aaron; Fairbrother, Wayne; Corn, Jacob
Citation: Phillips, Aaron; Zhang, Yingnan; Cunningham, Christian; Zhou, Lijuan; Forrest, William; Liu, Peter; Steffek, Micah; Lee, James; Tam, Christine; Helgason, Elizabeth; Murray, Jeremy; Kirkpatrick, Donald; Fairbrother, Wayne; Corn, Jacob. "Conformational dynamics control ubiquitin-deubiquitinase interactions and influence in vivo signaling." Proc. Natl. Acad. Sci. U.S.A. 110, 11379-11384 (2013).
Assembly members:
entity, polymer, 78 residues, 8565.851 Da.
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):
entity: GSMQIFVKGLTGKTTTLEVE
PSDTIENVKAKIQDKTGLPP
DQQRLIFAGKQLEDGRTLSD
YNIQKESTLHIVWRLRGG
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 328 |
| 15N chemical shifts | 70 |
| 1H chemical shifts | 518 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | U14Ub1 | 1 |
Entities:
Entity 1, U14Ub1 78 residues - 8565.851 Da.
| 1 | GLY | SER | MET | GLN | ILE | PHE | VAL | LYS | GLY | LEU | ||||
| 2 | THR | GLY | LYS | THR | THR | THR | LEU | GLU | VAL | GLU | ||||
| 3 | PRO | SER | ASP | THR | ILE | GLU | ASN | VAL | LYS | ALA | ||||
| 4 | LYS | ILE | GLN | ASP | LYS | THR | GLY | LEU | PRO | PRO | ||||
| 5 | ASP | GLN | GLN | ARG | LEU | ILE | PHE | ALA | GLY | LYS | ||||
| 6 | GLN | LEU | GLU | ASP | GLY | ARG | THR | LEU | SER | ASP | ||||
| 7 | TYR | ASN | ILE | GLN | LYS | GLU | SER | THR | LEU | HIS | ||||
| 8 | ILE | VAL | TRP | ARG | LEU | ARG | GLY | GLY |
Samples:
sample_1: U14Ub1, [U-99% 13C; U-99% 15N], 1 mM; sodium phosphate 25 mM; sodium chloride 125 mM; H2O 90%; D2O 10%
sample_2: U14Ub1, [U-99% 13C; U-99% 15N], 1 mM; sodium phosphate 25 mM; sodium chloride 125 mM; D2O 100%
sample_conditions_1: ionic strength: 0.16 M; pH: 7.5; pressure: 1 atm; temperature: 297 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 3D HNCA | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCACB | sample_1 | isotropic | sample_conditions_1 |
| 3D HN(CO)CA | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-15N NOESY | sample_1 | isotropic | sample_conditions_1 |
| 3D C(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D H(CCO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-15N TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 3D HCCH-COSY | sample_2 | isotropic | sample_conditions_1 |
| 3D 1H-13C NOESY | sample_2 | isotropic | sample_conditions_1 |
Software:
X-PLOR NIH, Schwieters, Kuszewski, Tjandra and Clore - structure solution
NMR spectrometers:
- Bruker Avance 800 MHz
Related Database Links:
| PDB |
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