BMRB Entry 28122
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR28122
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Title: 1H-13C-15N solid-state NMR assignment of a second conformation of HBV capsid PubMed: 33879615
Deposition date: 2020-05-15 Original release date: 2021-04-27
Authors: Lecoq, Lauriane; Bockmann, Anja; Wang, Shishan; Dujardin, Marie; Fogeron, Marie-Laure; Schledorn, Maarten; Montserret, Roland; Bressanelli, Stephane; Meier, Beat; Nassal, Michael
Citation: Lecoq, Lauriane; Wang, Shishan; Dujardin, Marie; Zimmermann, Peter; Schuster, Leonard; Fogeron, Marie-Laure; Briday, Mathilde; Schledorn, Maarten; Wiegand, Thomas; Cole, Laura; Montserret, Roland; Bressanelli, Stephane; Meier, Beat; Nassal, Michael; Bockmann, Anja. "A pocket-factor-triggered conformational switch in the hepatitis B virus capsid" Proc. Natl. Acad. Sci. U. S. A. 118, e2022464118-e2022464118 (2021).
Assembly members:
Cp183, polymer, 183 residues, 22244 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 Vector: pRSF_T7
Entity Sequences (FASTA):
Cp183: MDIDPYKEFGATVELLSFLP
SDFFPSVRDLLDTASALYRE
ALESPEHCSPHHTALRQAIL
CWGELMTLATWVGVNLEDPA
SRDLVVSYVNTNMGLKFRQL
LWFHISCLTFGRETVIEYLV
SFGVWIRTPPAYRPPNAPIL
STLPETTVVRRRGRSPRRRT
PSPRRRRSQSPRRRRSQSRE
SQC
- assigned_chemical_shifts
Data type | Count |
13C chemical shifts | 517 |
15N chemical shifts | 136 |
1H chemical shifts | 117 |
Additional metadata:
Assembly:
Entity Assembly ID | Entity Name | Entity ID |
---|---|---|
1 | Capsid | 1 |
Entities:
Entity 1, Capsid 183 residues - 22244 Da.
1 | MET | ASP | ILE | ASP | PRO | TYR | LYS | GLU | PHE | GLY | ||||
2 | ALA | THR | VAL | GLU | LEU | LEU | SER | PHE | LEU | PRO | ||||
3 | SER | ASP | PHE | PHE | PRO | SER | VAL | ARG | ASP | LEU | ||||
4 | LEU | ASP | THR | ALA | SER | ALA | LEU | TYR | ARG | GLU | ||||
5 | ALA | LEU | GLU | SER | PRO | GLU | HIS | CYS | SER | PRO | ||||
6 | HIS | HIS | THR | ALA | LEU | ARG | GLN | ALA | ILE | LEU | ||||
7 | CYS | TRP | GLY | GLU | LEU | MET | THR | LEU | ALA | THR | ||||
8 | TRP | VAL | GLY | VAL | ASN | LEU | GLU | ASP | PRO | ALA | ||||
9 | SER | ARG | ASP | LEU | VAL | VAL | SER | TYR | VAL | ASN | ||||
10 | THR | ASN | MET | GLY | LEU | LYS | PHE | ARG | GLN | LEU | ||||
11 | LEU | TRP | PHE | HIS | ILE | SER | CYS | LEU | THR | PHE | ||||
12 | GLY | ARG | GLU | THR | VAL | ILE | GLU | TYR | LEU | VAL | ||||
13 | SER | PHE | GLY | VAL | TRP | ILE | ARG | THR | PRO | PRO | ||||
14 | ALA | TYR | ARG | PRO | PRO | ASN | ALA | PRO | ILE | LEU | ||||
15 | SER | THR | LEU | PRO | GLU | THR | THR | VAL | VAL | ARG | ||||
16 | ARG | ARG | GLY | ARG | SER | PRO | ARG | ARG | ARG | THR | ||||
17 | PRO | SER | PRO | ARG | ARG | ARG | ARG | SER | GLN | SER | ||||
18 | PRO | ARG | ARG | ARG | ARG | SER | GLN | SER | ARG | GLU | ||||
19 | SER | GLN | CYS |
Samples:
sample_1: Cp183, [U-99% 13C; U-99% 15N], 20 mg/mL
conditions_rotor_3.2mm: ionic strength: 50 mM; pH: 7.5; pressure: 1 atm; temperature: 277 K
conditions_rotor_0.7mm: ionic strength: 50 mM; pH: 7.5; pressure: 1 atm; temperature: 295 K
Experiments:
Name | Sample | Sample state | Sample conditions |
---|---|---|---|
2D DARR | sample_1 | isotropic | conditions_rotor_3.2mm |
2D NCA | sample_1 | isotropic | conditions_rotor_3.2mm |
2D NCO | sample_1 | isotropic | conditions_rotor_3.2mm |
3D NCACX | sample_1 | isotropic | conditions_rotor_3.2mm |
3D CANCO | sample_1 | isotropic | conditions_rotor_3.2mm |
3D NCOCX | sample_1 | isotropic | conditions_rotor_3.2mm |
2D hNH | sample_1 | isotropic | conditions_rotor_0.7mm |
3D hCANH | sample_1 | isotropic | conditions_rotor_0.7mm |
3D hCONH | sample_1 | isotropic | conditions_rotor_0.7mm |
3D hCAcoNH | sample_1 | isotropic | conditions_rotor_0.7mm |
Software:
TOPSPIN, Bruker Biospin - collection, processing
CcpNmr, CCPN - chemical shift assignment, peak picking
NMR spectrometers:
- Bruker Avance 800 MHz
- Bruker Avance 850 MHz
Download HSQC peak lists in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts