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 30646

Title: Influenza B M2 Proton Channel in the Open State - SSNMR Structure at pH 4.5

Deposition date: 2019-07-21 Original release date: 2020-01-30

Authors: Mandala, V.; Loftis, A.; Shcherbakov, A.; Pentelute, B.; Hong, M.

Citation: Mandala, V.; Loftis, A.; Shcherbakov, A.; Pentelute, B.; Hong, M.. "Atomic Structures of a Closed and Open Proton Channel in Lipid Bilayers Reveal the Asymmetric Conduction Mechanism"  . ., .-..

Assembly members:
entity_1, polymer, 51 residues, 5953.146 Da.

Natural source:   Common Name: Influenza B virus   Taxonomy ID: 1601064   Superkingdom: Viruses   Kingdom: not available   Genus/species: Betainfluenzavirus Influenza B virus

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

Entity Sequences (FASTA):
entity_1: MFEPFQILSICSFILSALHF MAWTIGHLNQIKRGVNMKIR IKGPNKETINR

Data sets:
Data typeCount
13C chemical shifts204
15N chemical shifts34

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1entity_1, 11
2entity_1, 21
3entity_1, 31
4entity_1, 41

Entities:

Entity 1, entity_1, 1 51 residues - 5953.146 Da.

1   METPHEGLUPROPHEGLNILELEUSERILE
2   CYSSERPHEILELEUSERALALEUHISPHE
3   METALATRPTHRILEGLYHISLEUASNGLN
4   ILELYSARGGLYVALASNMETLYSILEARG
5   ILELYSGLYPROASNLYSGLUTHRILEASN
6   ARG

Samples:

sample_1: Influenza B M2 Proton Channel, [U-13C; U-15N], 0.26 ± 0.02 mg/uL; POPE 0.48 ± 0.05 mg/uL

sample_2: Influenza B M2 Proton Channel, [U-13C; U-15N], 0.26 ± 0.02 mg/uL; POPC 0.38 ± 0.05 mg/uL; POPG 0.10 ± 0.02 mg/uL

sample_3: Influenza B M2 Proton Channel, [U-13C; U-15N] and 4-19F-F5, 4-19F-F20, 0.13 ± 0.02 mg/uL; POPC 0.31 ± 0.04 mg/uL; POPG 0.08 ± 0.02 mg/uL

sample_conditions_1: ionic strength: 20 mM; pH: 4.5; pressure: 1 atm; temperature: 285 K

Experiments:

NameSampleSample stateSample conditions
2D CORDsample_1isotropicsample_conditions_1
2D NC TEDORsample_1isotropicsample_conditions_1
3D NCCX-TEDORsample_1isotropicsample_conditions_1
3D CCC CORD-CORDsample_1isotropicsample_conditions_1
2D NC NH-DIPSHIFTsample_2isotropicsample_conditions_1
2D CC Water-editedsample_1isotropicsample_conditions_1
1D 13C-19F REDORsample_3isotropicsample_conditions_1
2D CORDsample_2isotropicsample_conditions_1
2D NC TEDORsample_2isotropicsample_conditions_1

Software:

X-PLOR NIH v2.47, Schwieters, Kuszewski, Tjandra and Clore - refinement, structure calculation

Sparky v3.1, Goddard - chemical shift assignment, peak picking

TopSpin v2.1-3.6, Bruker Biospin - processing

NMR spectrometers:

  • Bruker AVANCE II 800 MHz
  • Bruker AVANCE III 600 MHz