BMRB Entry 52512

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR52512

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Title:
1H-MAS NMR assignment of the assembly domain of the hepatitis delta antigen
Deposition date:
2024-06-20
Original release date:
2024-11-05
Authors:
Yang, Yang; Fogeron, Marie-Laure; Malar, Alexander; Lecoq, Lauriane; Barnes, Alexander; Meier, Beat; Bockmann, Anja; Callon, Morgane
Citation:

Citation: Yang, Yang; Fogeron, Marie-Laure; Malar, Alexander; Lecoq, Lauriane; Barnes, Alexander; Meier, Beat; Bockmann, Anja; Callon, Morgane. "Hepatitis Delta Antigen Retains the Assembly Domain as the Only Rigid Entity"  J. Am. Chem. Soc. 146, 29531-29539 (2024).
PubMed: 39412103

Assembly members:

Assembly members:
entity_1, polymer, 70 residues, 8302 Da.

Natural source:

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

Experimental source:

Experimental source:   Production method: cell free synthesis   Host organism: wheat germ - cell free   Vector: pEU-E01

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: MSRSESRKNRGGREEILEQW VAGRKKLEELERDLRKTKKK LKKIEDENPWLGNIKGILGK SAWSHPQFEK

Data sets:
Data typeCount
13C chemical shifts143
15N chemical shifts39
1H chemical shifts187

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1HDAg 1-601

Entities:

Entity 1, HDAg 1-60 70 residues - 8302 Da.

assembly domain (residues 1 to 60) of the Hepatitis delta Antigen

1   METSERARGSERGLUSERARGLYSASNARG
2   GLYGLYARGGLUGLUILELEUGLUGLNTRP
3   VALALAGLYARGLYSLYSLEUGLUGLULEU
4   GLUARGASPLEUARGLYSTHRLYSLYSLYS
5   LEULYSLYSILEGLUASPGLUASNPROTRP
6   LEUGLYASNILELYSGLYILELEUGLYLYS
7   SERALATRPSERHISPROGLNPHEGLULYS

Samples:

sample_1: Hepatitis delta antigen assembly domain 1-60, [U-100% 13C; U-100% 15N], 1 mg/mL

sample_2: Hepatitis delta antigen assembly domain 1-60, [U-12C; U-14N; U-2H] with [U-100% 13C; U-100% 15N]-Leu,Glu, 1 mg/mL

sample_3: Hepatitis delta antigen assembly domain 1-60, [U-12C; U-14N; U-2H] with [U-100% 13C; U-100% 15N]-Gly,Arg,Lys, 1 mg/mL

sample_conditions_1: pH: 8; temperature: 295 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N CPsample_1isotropicsample_conditions_1
2D 1H-13C CPsample_1isotropicsample_conditions_1
2D 1H-15N CPsample_2isotropicsample_conditions_1
2D 1H-13C CPsample_2isotropicsample_conditions_1
2D 1H-15N CPsample_3isotropicsample_conditions_1
2D 1H-13C CPsample_3isotropicsample_conditions_1
3D-hNCAHsample_1isotropicsample_conditions_1
3D-hCANHsample_1isotropicsample_conditions_1
3D-hCONHsample_1isotropicsample_conditions_1
3D-hCONHsample_2isotropicsample_conditions_1
3D-hCONHsample_3isotropicsample_conditions_1
3D-hNcoCAHAsample_1isotropicsample_conditions_1
3D-hCAcoNHsample_1isotropicsample_conditions_1
3D-hCAcoNHsample_2isotropicsample_conditions_1
3D-hCAcoNHsample_3isotropicsample_conditions_1
3D-hCCHsample_1isotropicsample_conditions_1
3D-hCCHsample_3isotropicsample_conditions_1
3D-hNCAHsample_3isotropicsample_conditions_1

Software:

TOPSPIN v4 - collection, processing

CcpNMR v2.5 - chemical shift assignment, data analysis, peak picking

NMR spectrometers:

  • Bruker AVANCE NEO 1200 MHz
  • Bruker AVANCE III 850 MHz

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