BMRB Entry 30646

Name: Influenza B M2 Proton Channel in the Open State - SSNMR Structure at pH 4.5
Published: 2020-01-30

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR30646

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Nicholas Rego and David Koes
3Dmol.js: molecular visualization with WebGL
Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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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:

assigned_chemical_shifts
- assigned_chemical_shifts_1

Data type	Count
13C chemical shifts	204
15N chemical shifts	34

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	entity_1, 1	1
2	entity_1, 2	1
3	entity_1, 3	1
4	entity_1, 4	1

Entities:

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

1

MET

PHE

GLU

PRO

PHE

GLN

ILE

LEU

SER

ILE

2

CYS

SER

PHE

ILE

LEU

SER

ALA

LEU

HIS

PHE

3

MET

ALA

TRP

THR

ILE

GLY

HIS

LEU

ASN

GLN

4

ILE

LYS

ARG

GLY

VAL

ASN

MET

LYS

ILE

ARG

5

ILE

LYS

GLY

PRO

ASN

LYS

GLU

THR

ILE

ASN

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:

Name	Sample	Sample state	Sample conditions
2D CORD	sample_1	isotropic	sample_conditions_1
2D NC TEDOR	sample_1	isotropic	sample_conditions_1
3D NCCX-TEDOR	sample_1	isotropic	sample_conditions_1
3D CCC CORD-CORD	sample_1	isotropic	sample_conditions_1
2D NC NH-DIPSHIFT	sample_2	isotropic	sample_conditions_1
2D CC Water-edited	sample_1	isotropic	sample_conditions_1
1D 13C-19F REDOR	sample_3	isotropic	sample_conditions_1
2D CORD	sample_2	isotropic	sample_conditions_1
2D NC TEDOR	sample_2	isotropic	sample_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