BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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BMRB Entry 34167

Title: Solution structure of domain III (DIII)of Zika virus Envelope protein   PubMed: 28938115

Authors: Zerbe, O.; Bardelli, M.

Citation: Wang, J.; Bardelli, M.; Espinosa, D.; Pedotti, M.; Ng, T.; Bianchi, S.; Simonelli, L.; Lim, E.; Foglierini, M.; Zatta, F.; Jaconi, S.; Beltramello, M.; Cameroni, E.; Fibriansah, G.; Shi, J.; Barca, T.; Pagani, I.; Rubio, A.; Broccoli, V.; Vicenzi, E.; Graham, V.; Pullan, S.; Dowall, S.; Hewson, R.; Jurt, S.; Zerbe, O.; Stettler, K.; Lanzavecchia, A.; Sallusto, F.; Cavalli, A.; Harris, E.; Lok, S.; Varani, L.; Corti, D.. "A Human Bi-specific Antibody against Zika Virus with High Therapeutic Potential."  Cell 171, 229-241.e15 (2017).

Assembly members:
entity_1, polymer, 115 residues, 12479.393 Da.

Natural source:   Common Name: ZIKV   Taxonomy ID: 64320   Superkingdom: Viruses   Kingdom: not available   Genus/species: Flavivirus Zika virus

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

Entity Sequences (FASTA):
entity_1: MDKLRLKGVSYSLCTAAFTF TKIPAETLHGTVTVEVQYAG TDGPCKVPAQMAVDMQTLTP VGRLITANPVITESTENSKM MLELDPPFGDSYIVIGVGEK KITHHWHRSGSTIGK

Data typeCount
13C chemical shifts474
15N chemical shifts110
1H chemical shifts721

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
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Assembly:

Entity Assembly IDEntity NameEntity ID
1entity_11

Entities:

Entity 1, entity_1 115 residues - 12479.393 Da.

1   METASPLYSLEUARGLEULYSGLYVALSER
2   TYRSERLEUCYSTHRALAALAPHETHRPHE
3   THRLYSILEPROALAGLUTHRLEUHISGLY
4   THRVALTHRVALGLUVALGLNTYRALAGLY
5   THRASPGLYPROCYSLYSVALPROALAGLN
6   METALAVALASPMETGLNTHRLEUTHRPRO
7   VALGLYARGLEUILETHRALAASNPROVAL
8   ILETHRGLUSERTHRGLUASNSERLYSMET
9   METLEUGLULEUASPPROPROPHEGLYASP
10   SERTYRILEVALILEGLYVALGLYGLULYS
11   LYSILETHRHISHISTRPHISARGSERGLY
12   SERTHRILEGLYLYS

Samples:

sample_1: ZIKA Envelope DIII, [U-15N; U-13C], 800 uM; sodium chloride 50 mM; sodium phosphate 20 mM

sample_2: ZIKA Envelope DIII, [U-2H; U-15N; U-13C], 400 ± 10 uM; ZKA190 Fab 440 ± 10 uM; sodium chloride 50 ± 1 mM; sodium phosphate 20 ± 1 mM

sample_conditions_1: ionic strength: 0.27 mM; pH: 6.0; pressure: 1 atm; temperature: 300 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
2D 1H-15N HSQCsample_2isotropicsample_conditions_1
3D CBCA(CO)NHsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D 1H-15N NOESYsample_2isotropicsample_conditions_1
3D 1H-13C NOESY aromaticsample_1isotropicsample_conditions_1
3D 1H-13C NOESY aliphaticsample_1isotropicsample_conditions_1
3D 1H-15N NOESYsample_1isotropicsample_conditions_1
3D HN(CA)COsample_1isotropicsample_conditions_1
3D HBHA(CO)NHsample_1isotropicsample_conditions_1
3D HCCH-TOCSYsample_1isotropicsample_conditions_1
3D HNCOsample_2isotropicsample_conditions_1
3D H(C)CHsample_1isotropicsample_conditions_1
2D 1H-13C HSQC aliphaticsample_1isotropicsample_conditions_1
2D 1H-13C HSQC aromaticsample_1isotropicsample_conditions_1

Software:

CARA v1.93, Keller and Wuthrich - chemical shift assignment

CYANA v3.97, Guntert, Mumenthaler and Wuthrich - structure calculation

TOPSPIN v2.1, Bruker Biospin - processing

NMR spectrometers:

  • Bruker AV-4 600 MHz
  • Bruker Avance 700 MHz

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