BMRB Entry 34106
Click here to enlarge.
PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR34106
MolProbity Validation Chart
NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
NMR-STAR v2.1 text file (deprecated)
XML gzip file.
RDF gzip file.
All files associated with the entry
Title: NMR solution structure of ubl5 domain from polyubiquitin locus of T.thermophila. PubMed: 30690122
Deposition date: 2017-02-27 Original release date: 2018-03-16
Authors: Chiarini, V.; Tossavainen, H.
Citation: Chiarini, Valerio; Tossavainen, Helena; Sharma, Vivek; Colotti, Gianni. "NMR structure of a non-conjugatable, ADP-ribosylation associated, ubiquitin-like domain from Tetrahymena thermophila polyubiquitin locus" Biochim. Biophys. Acta Gen. Subj. 1863, 749-759 (2019).
Assembly members:
entity_1, polymer, 81 residues, 9457.851 Da.
Natural source: Common Name: Tetrahymena thermophila Taxonomy ID: 312017 Superkingdom: Eukaryota Kingdom: not available Genus/species: Tetrahymena thermophila
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
entity_1: SHMQVSIEFQNGEKLKFNVQ
PSHKILDIKEMIFKKTNINV
KDQSLKFAGNEMINQKTLSD
YSIIDSTEEFTLHLETKLDL
M
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 391 |
| 15N chemical shifts | 89 |
| 1H chemical shifts | 617 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | entity_1 | 1 |
Entities:
Entity 1, entity_1 81 residues - 9457.851 Da.
| 1 | SER | HIS | MET | GLN | VAL | SER | ILE | GLU | PHE | GLN | ||||
| 2 | ASN | GLY | GLU | LYS | LEU | LYS | PHE | ASN | VAL | GLN | ||||
| 3 | PRO | SER | HIS | LYS | ILE | LEU | ASP | ILE | LYS | GLU | ||||
| 4 | MET | ILE | PHE | LYS | LYS | THR | ASN | ILE | ASN | VAL | ||||
| 5 | LYS | ASP | GLN | SER | LEU | LYS | PHE | ALA | GLY | ASN | ||||
| 6 | GLU | MET | ILE | ASN | GLN | LYS | THR | LEU | SER | ASP | ||||
| 7 | TYR | SER | ILE | ILE | ASP | SER | THR | GLU | GLU | PHE | ||||
| 8 | THR | LEU | HIS | LEU | GLU | THR | LYS | LEU | ASP | LEU | ||||
| 9 | MET |
Samples:
sample_1: T.thermophila BUBL1-ubl5, [U-13C; U-15N], 4 mM; sodium phosphate 20 mM
sample_conditions_1: ionic strength: 0.06 M; pH: 6; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-15N TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-15N NOESY | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-13C NOESY | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCO | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCACB | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCA | sample_1 | isotropic | sample_conditions_1 |
| 3D CBCA(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D HN(CO)CA | sample_1 | isotropic | sample_conditions_1 |
| 3D HN(CA)CO | sample_1 | isotropic | sample_conditions_1 |
| 3D HCC(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D HCCH-COSY | sample_1 | isotropic | sample_conditions_1 |
Software:
TOPSPIN, Bruker Biospin - collection, processing
CcpNMR, CCPN - data analysis
CYANA, Guntert, Mumenthaler and Wuthrich - structure calculation
AMBER, Case, Darden, Cheatham III, Simmerling, Wang, Duke, Luo, ... and Kollman - refinement
NMR spectrometers:
- Bruker AvanceIII 850 MHz
- Bruker AvanceIII 600 MHz
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts