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BMRB Entry 30959 BMRB - Biological Magnetic Resonance Bank
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Biological Magnetic Resonance Data Bank


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BMRB Entry 30959

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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/BMR30959
MolProbity Validation Chart

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Title: Domain III (EDIII) of the POWV E glycoprotein   PubMed: 35679349

Deposition date: 2021-10-07 Original release date: 2022-05-12

Authors: Harris, R.; Cahill, S.; Cowburn, D.

Citation: Malonis, R.; Georgiev, G.; Haslwanter, D.; VanBlargan, L.; Fallon, G.; Vergnolle, O.; Cahill, S.; Harris, R.; Cowburn, D.; Chandran, K.; Diamond, M.; Lai, J.. "A Powassan virus domain III nanoparticle immunogen elicits neutralizing and protective antibodies in mice"  PLoS Pathog. 18, e1010573-e1010573 (2022).

Assembly members:
entity_1, polymer, 102 residues, 11182.757 Da.

Natural source:   Common Name: POWV, Powassan virus   Taxonomy ID: 39008   Superkingdom: Viruses   Kingdom: not available   Genus/species: Flavivirus Powassan virus

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli BL21(DE3)

Entity Sequences (FASTA):
entity_1: SNTYSMCDKTKFKWKRVPVD SGHDTVVMEVSYTGSDKPCR IPVRAVAHGVPTINVAMLIT PNPTIETSGGGFIEMQLPPG DNIIYVGDLSQQWFQKGSTI GR

Data sets:
Data typeCount
13C chemical shifts459
15N chemical shifts106
1H chemical shifts714

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1unit_11

Entities:

Entity 1, unit_1 102 residues - 11182.757 Da.

1   SERASNTHRTYRSERMETCYSASPLYSTHR
2   LYSPHELYSTRPLYSARGVALPROVALASP
3   SERGLYHISASPTHRVALVALMETGLUVAL
4   SERTYRTHRGLYSERASPLYSPROCYSARG
5   ILEPROVALARGALAVALALAHISGLYVAL
6   PROTHRILEASNVALALAMETLEUILETHR
7   PROASNPROTHRILEGLUTHRSERGLYGLY
8   GLYPHEILEGLUMETGLNLEUPROPROGLY
9   ASPASNILEILETYRVALGLYASPLEUSER
10   GLNGLNTRPPHEGLNLYSGLYSERTHRILE
11   GLYARG

Samples:

sample_1: domain III (EDIII) of the POWV E glycoprotein, [U-15N], .5 ± 0.1 mM; sodium phosphate, none, 20 ± 0.01 mM; sodium chloride, none, 50 ± 0.1 mM

sample_2: domain III (EDIII) of the POWV E glycoprotein, [U-15N], 1 ± 0.1 mM; sodium phosphate, none, 20 ± 0.01 mM; sodium chloride, none, 50 ± 0.1 mM

sample_3: domain III (EDIII) of the POWV E glycoprotein, [U-15N], 1 ± 0.1 mM; sodium phosphate, none, 20 ± 0.01 mM; sodium chloride, none, 50 ± 0.1 mM

sample_conditions_1: ionic strength: 70 mM; pH: 6.2 pH*; pressure: 1 atm; temperature: 278 K

sample_conditions_2: ionic strength: 70 mM; pH: 6.2 pH*; pressure: 1 atm; temperature: 278 K

sample_conditions_3: ionic strength: 70 mM; pH: 6.2 pD; pressure: 1 atm; temperature: 278 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
3D 1H-15N NOESYsample_1isotropicsample_conditions_1
3D 1H-15N TOCSYsample_1isotropicsample_conditions_1
HNHAsample_1isotropicsample_conditions_1
2D 1H-15N HSQCsample_2isotropicsample_conditions_2
2D 1H-13C HSQC aliphaticsample_3isotropicsample_conditions_3
3D 1H-13C NOESYsample_3isotropicsample_conditions_3
3D 1H-13C NOESY aromaticsample_3isotropicsample_conditions_3
3D HNCOsample_2isotropicsample_conditions_2
3D HN(CO)CAsample_2isotropicsample_conditions_2
3D HNCAsample_2isotropicsample_conditions_2
HN(CA)CBsample_2isotropicsample_conditions_2
3D HN(COCA)CBsample_2isotropicsample_conditions_2
HN(CO)NH TOCSYsample_2isotropicsample_conditions_2
HC(CO)NH TOCSYsample_3isotropicsample_conditions_3
13C HSQC arosample_3isotropicsample_conditions_3

Software:

TopSpin v1,3, Bruker Biospin - processing

TopSpin v2.1, Bruker Biospin - processing

NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing

CcpNmr Analysis v2.4, CCPN - chemical shift assignment

ARIA v2.3, Linge, O'Donoghue and Nilges - structure calculation

SideR, https://www.ucl.ac.uk/hansen-lab/sider_dfh - structure calculation

CNS, Brunger, Adams, Clore, Gros, Nilges and Read - structure calculation

NMR spectrometers:

  • Bruker AVANCE III HD 600 MHz
  • Bruker AVANCE DMX 800 MHz
  • Bruker AVANCE III HD 700 MHz

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