BMRB Entry 51186
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR51186
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Title: Backbone chemical shifts of PreS domain from hepatitis B virus envelope protein PubMed: 35282608
Deposition date: 2021-11-23 Original release date: 2022-02-23
Authors: Lecoq, Lauriane; Fogeron, Marie-Laure; Cole, Laura; Montserret, Roland; David, Guillaume; Page, Adeline; Delolme, Frederic; Nassal, Michael; Bockmann, Anja
Citation: Fogeron, Marie-Laure; Lecoq, Lauriane; Cole, Laura; Montserret, Roland; David, Guillaume; Page, Adeline; Delolme, Frederic; Nassal, Michael; Bockmann, Anja. "Phosphorylation of the Hepatitis B Virus Large Envelope Protein" Frontiers Mol. Bio. 8, 821755-821755 (2022).
Assembly members:
entity_1, polymer, 172 residues, 18430 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-H6-GB1-ENLYFQG-preS-Strep-tag-II
Entity Sequences (FASTA):
entity_1: GQNLSTSNPLGFFPDHQLDP
AFRANTANPDWDFNPNKDTW
PDANKVGAGAFGLGFTPPHG
GLLGWSPQAQGILQTLPANP
PPASTNRQSGRQPTPLSPPL
RNTHPQAMQWNSTTFHQTLQ
DPRVRGLYFPAGGSSSGTVN
PVLTTASPLSSIFSRIGDPA
LNASWSHPQFEK
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 465 |
| 15N chemical shifts | 140 |
| 1H chemical shifts | 143 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | preS | 1 |
Entities:
Entity 1, preS 172 residues - 18430 Da.
StreptagII in Cter: ASWSHPQFEK
| 1 | GLY | GLN | ASN | LEU | SER | THR | SER | ASN | PRO | LEU | ||||
| 2 | GLY | PHE | PHE | PRO | ASP | HIS | GLN | LEU | ASP | PRO | ||||
| 3 | ALA | PHE | ARG | ALA | ASN | THR | ALA | ASN | PRO | ASP | ||||
| 4 | TRP | ASP | PHE | ASN | PRO | ASN | LYS | ASP | THR | TRP | ||||
| 5 | PRO | ASP | ALA | ASN | LYS | VAL | GLY | ALA | GLY | ALA | ||||
| 6 | PHE | GLY | LEU | GLY | PHE | THR | PRO | PRO | HIS | GLY | ||||
| 7 | GLY | LEU | LEU | GLY | TRP | SER | PRO | GLN | ALA | GLN | ||||
| 8 | GLY | ILE | LEU | GLN | THR | LEU | PRO | ALA | ASN | PRO | ||||
| 9 | PRO | PRO | ALA | SER | THR | ASN | ARG | GLN | SER | GLY | ||||
| 10 | ARG | GLN | PRO | THR | PRO | LEU | SER | PRO | PRO | LEU | ||||
| 11 | ARG | ASN | THR | HIS | PRO | GLN | ALA | MET | GLN | TRP | ||||
| 12 | ASN | SER | THR | THR | PHE | HIS | GLN | THR | LEU | GLN | ||||
| 13 | ASP | PRO | ARG | VAL | ARG | GLY | LEU | TYR | PHE | PRO | ||||
| 14 | ALA | GLY | GLY | SER | SER | SER | GLY | THR | VAL | ASN | ||||
| 15 | PRO | VAL | LEU | THR | THR | ALA | SER | PRO | LEU | SER | ||||
| 16 | SER | ILE | PHE | SER | ARG | ILE | GLY | ASP | PRO | ALA | ||||
| 17 | LEU | ASN | ALA | SER | TRP | SER | HIS | PRO | GLN | PHE | ||||
| 18 | GLU | LYS |
Samples:
sample_1: preS, [U-99% 13C; U-99% 15N], 50 uM; PO4 buffer 20 mM; NaCl 50 mM
sample_conditions_1: ionic strength: 50 mM; pH: 6; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N BESTTROSY | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCACO | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCO | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCACB | sample_1 | isotropic | sample_conditions_1 |
| 3D HN(CO)CACB | sample_1 | isotropic | sample_conditions_1 |
Software:
TOPSPIN v4 - collection, processing
CcpNMR v2.5 - chemical shift assignment, data analysis
NMR spectrometers:
- Bruker AVANCE III 600 MHz
Download HSQC peak lists in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts