BMRBj - BMREntryMaster

Found 1 Document (0.595 seconds)

BMRB: 30646

6PVR

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

Authors

Mandala, V.S., Loftis, A.R., Shcherbakov, A.S., Pentelute, B.L., Hong, M.

Assembly

BM2 protein

Entity

1. BM2 protein (polymer, Thiol state: all free), 51 monomers, 5944.072 × 4 Da Detail

MFEPFQILSI CSFILSALHF MAWTIGHLNQ IKRGVNMKIR IKGPNKETIN R

Total weight

23776.287 Da

Max. entity weight

5944.072 Da

Source organism

Influenza B virus (B/Maryland/1/2001)

Exptl. method

NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 88.2 %, Completeness: 73.3 %, Completeness (bb): 76.4 % Detail

Polymer type: polypeptide(L)

	Total	¹³C	¹⁵N
All	73.3 % (225 of 307)	76.1 % (191 of 251)	60.7 % (34 of 56)
Backbone	76.4 % (152 of 199)	80.0 % (120 of 150)	65.3 % (32 of 49)
Sidechain	73.7 % (115 of 156)	75.8 % (113 of 149)	28.6 % (2 of 7)
Aromatic	56.7 % (17 of 30)	58.6 % (17 of 29)	0.0 % (0 of 1)
Methyl	86.7 % (26 of 30)	86.7 % (26 of 30)

1. entity 1

MFEPFQILSI CSFILSALHF MAWTIGHLNQ IKRGVNMKIR IKGPNKETIN R

Show sample condition

Sample #1

Solvent system aqueous buffer, Pressure 1 (±0.05) atm, Temperature 285 (±5) K, pH 4.5 (±0.2), Details 0.26 mg/uL [U-13C; U-15N] Influenza B M2 Proton Channel, 0.48 mg/uL POPE, aqueous buffer

#	Name	Isotope labeling	Type	Concentration
1	Influenza B M2 Proton Channel	[U-13C; U-15N]		0.26 (±0.02) mg/uL
2	POPE	natural abundance		0.48 (±0.05) mg/uL

Sample #2

#	Name	Isotope labeling	Concentration
3	Influenza B M2 Proton Channel	[U-13C; U-15N]	0.26 (±0.02) mg/uL
4	POPC	natural abundance	0.38 (±0.05) mg/uL
5	POPG	natural abundance	0.10 (±0.02) mg/uL

Sample #3

Solvent system aqueous buffer, Pressure 1 (±0.05) atm, Temperature 285 (±5) K, pH 4.5 (±0.2), Details 0.13 mg/uL [U-13C; U-15N] and 4-19F-F5, 4-19F-F20 Influenza B M2 Proton Channel, 0.31 mg/uL POPC, 0.08 mg/uL POPG, aqueous buffer

#	Name	Isotope labeling	Concentration
6	Influenza B M2 Proton Channel	[U-13C; U-15N] and 4-19F-F5, 4-19F-F20	0.13 (±0.02) mg/uL
7	POPC	natural abundance	0.31 (±0.04) mg/uL
8	POPG	natural abundance	0.08 (±0.02) mg/uL

Protein Blocks Logo

Calculated from 10 models in PDB: 6PVT, Strand ID: A, B, C, D Detail

Release date

2019-07-28

Citation

Atomic structures of closed and open influenza B M2 proton channel reveal the conduction mechanism
Mandala, V.S., Loftis, A.R., Shcherbakov, A.S., Pentelute, B.L., Hong, M.
Nat. Struct. Mol. Biol. (2020), 27, 160-167, PubMed 32015551 , DOI 10.1038/s41594-019-0371-2 , Abstract

Related entities 1. BM2 protein, : 1 : 1 : 1 : 5 entities Detail

Experiments performed 9 experiments Detail

1 2D CORD

Instrument

Bruker AVANCE II - 800 MHz

Sample

State isotropic, Solvent system aqueous buffer, Pressure 1 (±0.05) atm, Temperature 285 (±5) K, pH 4.5 (±0.2), Details 0.26 mg/uL [U-13C; U-15N] Influenza B M2 Proton Channel, 0.48 mg/uL POPE, aqueous buffer

#	Name	Isotope labeling	Type	Concentration
1	Influenza B M2 Proton Channel	[U-13C; U-15N]		0.26 (±0.02) mg/uL
2	POPE	natural abundance		0.48 (±0.05) mg/uL

2 2D NC TEDOR

Instrument

Bruker AVANCE II - 800 MHz

Sample

#	Name	Isotope labeling	Type	Concentration
1	Influenza B M2 Proton Channel	[U-13C; U-15N]		0.26 (±0.02) mg/uL
2	POPE	natural abundance		0.48 (±0.05) mg/uL

3 3D NCCX-TEDOR

Instrument

Bruker AVANCE II - 800 MHz

Sample

#	Name	Isotope labeling	Type	Concentration
1	Influenza B M2 Proton Channel	[U-13C; U-15N]		0.26 (±0.02) mg/uL
2	POPE	natural abundance		0.48 (±0.05) mg/uL

4 3D CCC CORD-CORD

Instrument

Bruker AVANCE II - 800 MHz

Sample

#	Name	Isotope labeling	Type	Concentration
1	Influenza B M2 Proton Channel	[U-13C; U-15N]		0.26 (±0.02) mg/uL
2	POPE	natural abundance		0.48 (±0.05) mg/uL

5 2D NC NH-DIPSHIFT

Instrument

Bruker AVANCE II - 800 MHz

Sample

#	Name	Isotope labeling	Concentration
3	Influenza B M2 Proton Channel	[U-13C; U-15N]	0.26 (±0.02) mg/uL
4	POPC	natural abundance	0.38 (±0.05) mg/uL
5	POPG	natural abundance	0.10 (±0.02) mg/uL

6 2D CC Water-edited

Instrument

Bruker AVANCE II - 800 MHz

Sample

#	Name	Isotope labeling	Type	Concentration
1	Influenza B M2 Proton Channel	[U-13C; U-15N]		0.26 (±0.02) mg/uL
2	POPE	natural abundance		0.48 (±0.05) mg/uL

7 1D 13C-19F REDOR

Instrument

Bruker AVANCE III - 600 MHz

Sample

State isotropic, Solvent system aqueous buffer, Pressure 1 (±0.05) atm, Temperature 285 (±5) K, pH 4.5 (±0.2), Details 0.13 mg/uL [U-13C; U-15N] and 4-19F-F5, 4-19F-F20 Influenza B M2 Proton Channel, 0.31 mg/uL POPC, 0.08 mg/uL POPG, aqueous buffer

#	Name	Isotope labeling	Concentration
6	Influenza B M2 Proton Channel	[U-13C; U-15N] and 4-19F-F5, 4-19F-F20	0.13 (±0.02) mg/uL
7	POPC	natural abundance	0.31 (±0.04) mg/uL
8	POPG	natural abundance	0.08 (±0.02) mg/uL

8 2D CORD

Instrument

Bruker AVANCE II - 800 MHz

Sample

#	Name	Isotope labeling	Concentration
3	Influenza B M2 Proton Channel	[U-13C; U-15N]	0.26 (±0.02) mg/uL
4	POPC	natural abundance	0.38 (±0.05) mg/uL
5	POPG	natural abundance	0.10 (±0.02) mg/uL

9 2D NC TEDOR

Instrument

Bruker AVANCE II - 800 MHz

Sample

#	Name	Isotope labeling	Concentration
3	Influenza B M2 Proton Channel	[U-13C; U-15N]	0.26 (±0.02) mg/uL
4	POPC	natural abundance	0.38 (±0.05) mg/uL
5	POPG	natural abundance	0.10 (±0.02) mg/uL

Chemical shift validation 3 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr30646_3.str
Diamagnetism of the molecular assembly	True (excluding Oxygen atoms)
Whether the assembly has a disulfide bond	None
Whether the assembly has a other bond	None
Whether the assembly contains a cyclic polymer	None
Overall data processing status	Warning

Disulfide bonds

None

Other bonds (neither disulfide, covalent nor hydrogen bonds, e.g. Zinc–sulphur bond)

None

Non-standard residues

None

Content subtype: bmr30646_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chemical_shifts_1	Warning	238		88.2 (chain: 1, length: 51)
1	Chemical shift references	chem_shift_reference_1	OK	2		No information

Assigned chemical shifts

Saveframe: assigned_chemical_shifts_1

Status: Warning

Sequence coverage of experimental data

Entity_assembly_ID: 1, Chain length: 51, Sequence coverage: 88.2%

--------10--------20--------30--------40--------50-
MFEPFQILSICSFILSALHFMAWTIGHLNQIKRGVNMKIRIKGPNKETINR
 ||||||||||||||||||||||||||||||||||||     |||||||||
.FEPFQILSICSFILSALHFMAWTIGHLNQIKRGVNM.....GPNKETINR

Total number of assignments
- ¹³C chemical shifts: 204
- ¹⁵N chemical shifts: 34

Completeness of assignments

Entity_assemble_ID: 1

Excluded Atom_ID in statistics

Comp_index_ID	Comp_ID	Atom_ID	CS value (ppm)
3	GLU	CD	180.5
4	PRO	N	136.9
5	PHE	CG	135.9
6	GLN	CD	178.1
13	PHE	CG	135.2
19	HIS	CG	129.8
20	PHE	CG	135.0
23	TRP	CG	112.1
23	TRP	CE2	136.4
27	HIS	CG	129.7
29	ASN	CG	174.5
30	GLN	CD	176.4
32	LYS	NZ	34.6
33	ARG	CZ	157.8
36	ASN	CG	174.4
44	PRO	N	132.4

All atoms

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	251	191	76.1
¹⁵N chemical shifts	59	31	52.5

Backbone atoms

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	102	78	76.5
¹⁵N chemical shifts	49	30	61.2

Side chain atoms

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	149	113	75.8
¹⁵N chemical shifts	10	1	10.0

Methyl group atoms

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	33	27	81.8

Aromatic group atoms

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	29	17	58.6
¹⁵N chemical shifts	1	0	0.0

Redox state of CYS
Peptide bond of PRO
Tautomeric state of HIS
Rotameric state of ILE , LEU, and VAL
Histogram of normalized assigned chemical shifts
Random coil index and derived parameters (S² and NMR RMSD)
- Chain_ID: 1

Keywords Closed State, Four Helix Bundle, Proton Channel, VIRAL PROTEIN

Search

Query history

Resources

Search for primary databases

Search for subsidiary databases

Display

Hits per page

Statistics

Query Changes will take effect after "OK" button is selected.

Maximum hits

Default conjunction operator

Omni-box

Search filter

Sequence search (BLAST)

E-value

Query sequence coverage

Miscellaneous

The number of previewed publications

Completeness of assigned chemical shift

Sequence chart about top aligned regions

Sequence chart about interacting regions

Hit context with highlight

Link destinations for BMRB, PDB and EMDB

Found 1 Document (0.595 seconds)

BMRB: 30646

Sample #1

Sample #2

Sample #3

Related entities 1. BM2 protein, : 1 : 1 : 1 : 5 entities Detail

Experiments performed 9 experiments Detail

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Chemical shift validation 3 contents Detail