BMRB Entry 52343
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR52343
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NMR-STAR v3 text file.
XML gzip file.
RDF gzip file.
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Citation: Masoumzadeh, Elahe; Ying, Jinfa; Baber, James; Anfinrud, Philip; Bax, Ad. "Proline Peptide Bond Isomerization in Ubiquitin Under Folding and Denaturing Conditions by Pressure-Jump NMR" J. Mol. Biol. 436, 168587-168587 (2024).
PubMed: 38663546
Assembly members:
entity_1, 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 Vector: pET22
Entity Sequences (FASTA):
entity_1: MQIFVKTLTGKTITLEVEPS
DTIENVKAKIQDKEGIPPDQ
QRLIFAGKQAEDGRTLSDYN
IQKESTLHLVLRLRGG
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 72 |
| 15N chemical shifts | 70 |
| 1H chemical shifts | 70 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | Ubq L50A | 1 |
Entities:
Entity 1, Ubq L50A 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 | ALA | ||||
| 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 L50A mutant, [U-2H; U-15N], 400 uM; sodium phosphate 20 mM; EDTA 1 mM; benzamidine 1 mM
sample_conditions_1: ionic strength: 20 mM; pH: 6.4; pressure: 1 atm; temperature: 278 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 3D HNCA | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-15N TROSY | sample_1 | isotropic | sample_conditions_1 |
Software:
ccpn analysis - chemical shift assignment
NMRPipe - data analysis
SMILE - data analysis
NMR spectrometers:
- Bruker AVANCE III HD 700 MHz
Download HSQC peak lists in one of the following formats:
CSV: Backbone
or all simulated peaks
SPARKY: Backbone
or all simulated peaks