BMRB Entry 51294

Title:
Backbone assignment of Hepatitis B virus core protein Cp149 dimer by solution NMR at pH 7.5
Deposition date:
2022-01-27
Original release date:
2022-07-13
Authors:
Lecoq, Lauriane; Briday, Mathilde; Bockmann, Anja
Citation:

Citation: Briday, Mathilde; Hallle, Francois; Lecoq, Lauriane; Radix, Sylvie; Martin, Juliette; Montserret, Roland; Dujardin, Marie; Fogeron, Marie-Laure; Nassal, Michael; Meier, Beat; Lomberget, Thierry; Bockmann, Anja. "Pharmacomodulation of a ligand targeting the HBV capsid hydrophobic pocket"  Chem. Sci. 13, 8840-8847 (2022).
PubMed: 36042894

Assembly members:

Assembly members:
entity_1, polymer, 149 residues, Formula weight is not available

Natural source:

Natural source:   Common Name: Human   Taxonomy ID: 9606   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Homo sapiens

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli   Vector: pET28a2

Data sets:
Data typeCount
13C chemical shifts182
15N chemical shifts100
1H chemical shifts100

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
  • Hide all

Assembly:

Entity Assembly IDEntity NameEntity ID
1Cp149, chain 11
2Cp149, chain 21

Entities:

Entity 1, Cp149, chain 1 149 residues - Formula weight is not available

1   METASPILEASPPROTYRLYSGLUPHEGLY
2   ALATHRVALGLULEULEUSERPHELEUPRO
3   SERASPPHEPHEPROSERVALARGASPLEU
4   LEUASPTHRALASERALALEUTYRARGGLU
5   ALALEUGLUSERPROGLUHISCYSSERPRO
6   HISHISTHRALALEUARGGLNALAILELEU
7   CYSTRPGLYGLULEUMETTHRLEUALATHR
8   TRPVALGLYVALASNLEUGLUASPPROALA
9   SERARGASPLEUVALVALSERTYRVALASN
10   THRASNMETGLYLEULYSPHEARGGLNLEU
11   LEUTRPPHEHISILESERCYSLEUTHRPHE
12   GLYARGGLUTHRVALILEGLUTYRLEUVAL
13   SERPHEGLYVALTRPILEARGTHRPROPRO
14   ALATYRARGPROPROASNALAPROILELEU
15   SERTHRLEUPROGLUTHRTHRVALVAL

Samples:

sample_1: Cp149 dimer, [U-98% 13C; U-98% 15N; U-98% 2H], 100 uM; HEPES 50 mM; DTT 5 mM

sample_2: Cp149 dimer, [U-99% 13C; U-99% 15N], 100 uM; HEPES 50 mM; DTT 5 mM

sample_conditions_1: ionic strength: 0 M; pH: 7.5; pressure: 1 atm; temperature: 295 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N TROSYsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D HNCAsample_1isotropicsample_conditions_1
2D 1H-15N TROSYsample_1isotropicsample_conditions_1
3D HNCAsample_2isotropicsample_conditions_1
3D HN(CO)CAsample_2isotropicsample_conditions_1
3D HNCOsample_2isotropicsample_conditions_1

Software:

TOPSPIN v4 - collection, processing

CcpNMR v2.5 - chemical shift assignment, data analysis

NMR spectrometers:

  • Bruker AVANCE III 600 MHz
  • Bruker AVANCE III 950 MHz

Related Database Links:

UNP P03146
AlphaFold P03146

Download HSQC peak lists in one of the following formats:
CSV: Backbone or all simulated peaks
SPARKY: Backbone or all simulated peaks