BMRB Entry 18568
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR18568
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Title: ns4b40
Deposition date: 2012-07-05 Original release date: 2013-06-17
Authors: Montserret, Roland; Penin, Francois
Citation: Montserret, Roland; Penin, Francois. "Aminoterminal Amphipathic alpha-Helix AH1 of Hepatitis C Virus Nonstructural Protein 4B Possesses a Dual Role in RNA Replication and Virus Production" PLOS Pathogens ., .-..
Assembly members:
entity, polymer, 40 residues, 4385.087 Da.
Natural source: Common Name: Hepatitis C Virus Taxonomy ID: 11103 Superkingdom: Viruses Kingdom: not available Genus/species: Hepacivirus Hepatitis C virus
Experimental source: Production method: chemical synthesis
Entity Sequences (FASTA):
entity: ASRAALIEEGQRIAEMLKSK
IQGLLQQASKQAQDIQPAMQ
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 132 |
| 1H chemical shifts | 293 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | NS4B | 1 |
Entities:
Entity 1, NS4B 40 residues - 4385.087 Da.
| 1 | ALA | SER | ARG | ALA | ALA | LEU | ILE | GLU | GLU | GLY | |
| 2 | GLN | ARG | ILE | ALA | GLU | MET | LEU | LYS | SER | LYS | |
| 3 | ILE | GLN | GLY | LEU | LEU | GLN | GLN | ALA | SER | LYS | |
| 4 | GLN | ALA | GLN | ASP | ILE | GLN | PRO | ALA | MET | GLN |
Samples:
sample_1: H2O 40 v/v; D2O, [U-100% 2H], 10 v/v; TFE, [U-100% 2H], 50 v/v; DSS 0.2 uM; NS4B 1.2 mM
sample_conditions_1: pH: 5; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-13C HSQC | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H NOESY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H TOCSY | sample_1 | isotropic | sample_conditions_1 |
Software:
TOPSPIN, Bruker Biospin - collection, processing
SPARKY, Goddard - chemical shift assignment
X-PLOR NIH, Schwieters, Kuszewski, Tjandra and Clore - structure solution
TALOS, Cornilescu, Delaglio and Bax - geometry optimization
NMR spectrometers:
- Bruker Avance 500 MHz