BMRB Entry 30180
Click here to enlarge.
PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR30180
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: N-terminal microdomain of 34-mers from HsDHODH - N-t(DH) PubMed: 26086954
Deposition date: 2016-09-14 Original release date: 2017-09-11
Authors: Crusca, E.; Munte, C.
Citation: Vicente, E.; Sahu, I.; Costa-Filho, A.; Cilli, E.; Lorigan, G.. "Conformational changes of the HsDHODH N-terminal Microdomain via DEER Spectroscopy." J. Phys. Chem. B 119, 8693-8697 (2015).
Assembly members:
Dihydroorotate dehydrogenase (quinone), mitochondrial, polymer, 35 residues, 3831.320 Da.
Natural source: Common Name: Human Taxonomy ID: 9606 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Homo sapiens
Experimental source: Production method: chemical synthesis
Entity Sequences (FASTA):
Dihydroorotate dehydrogenase (quinone), mitochondrial: GDERFYAEHLMPTLQGLLDP
ESAHRLAVRFTSLGX
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 51 |
| 15N chemical shifts | 32 |
| 1H chemical shifts | 235 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | entity_1 | 1 |
Entities:
Entity 1, entity_1 35 residues - 3831.320 Da.
| 1 | GLY | ASP | GLU | ARG | PHE | TYR | ALA | GLU | HIS | LEU | ||||
| 2 | MET | PRO | THR | LEU | GLN | GLY | LEU | LEU | ASP | PRO | ||||
| 3 | GLU | SER | ALA | HIS | ARG | LEU | ALA | VAL | ARG | PHE | ||||
| 4 | THR | SER | LEU | GLY | NH2 |
Samples:
sample_1: peptide 700 uM; H2O 90%; D2O 10%
sample_conditions_1: ionic strength: 0 mM; pH: 7.4; pressure: 1 atm; temperature: 310 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-1H TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 2D DQF-COSY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H NOESY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
Software:
CYANA v2.1, Guntert, Mumenthaler and Wuthrich - refinement, structure calculation
NMRView, Johnson, One Moon Scientific - chemical shift assignment, chemical shift calculation, data analysis, peak picking
TOPSPIN, Bruker Biospin - collection, processing
NMR spectrometers:
- Bruker AvanceIII 600 MHz
- Bruker AvanceIII 800 MHz
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts