BMRBj - BMREntryMaster

Found 1 Document (0.617 seconds)

BMRB: 30645

6PVR

Influenza B M2 Proton Channel in the Closed State - SSNMR Structure at pH 7.5

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: 80.4 %, Completeness: 62.2 %, Completeness (bb): 65.8 % Detail

Polymer type: polypeptide(L)

	Total	¹³C	¹⁵N
All	62.2 % (191 of 307)	65.3 % (164 of 251)	48.2 % (27 of 56)
Backbone	65.8 % (131 of 199)	70.0 % (105 of 150)	53.1 % (26 of 49)
Sidechain	62.8 % (98 of 156)	65.1 % (97 of 149)	14.3 % (1 of 7)
Aromatic	46.7 % (14 of 30)	44.8 % (13 of 29)	100.0 % (1 of 1)
Methyl	76.7 % (23 of 30)	76.7 % (23 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 7.5 (±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

Solvent system aqueous buffer, Pressure 1 (±0.05) atm, Temperature 285 (±5) K, pH 7.5 (±0.2), Details 0.13 mg/uL [U-13C; U-15N] and 4-19F-F5, 4-19F-F20 Influenza B M2 Proton Channel, 0.39 mg/uL POPE, aqueous buffer

#	Name	Isotope labeling	Type	Concentration
3	Influenza B M2 Proton Channel	[U-13C; U-15N] and 4-19F-F5, 4-19F-F20		0.13 (±0.02) mg/uL
4	POPE	natural abundance		0.39 (±0.05) mg/uL

Protein Blocks Logo

Calculated from 10 models in PDB: 6PVR, 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 7 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 7.5 (±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-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

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	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

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 7.5 (±0.2), Details 0.13 mg/uL [U-13C; U-15N] and 4-19F-F5, 4-19F-F20 Influenza B M2 Proton Channel, 0.39 mg/uL POPE, aqueous buffer

#	Name	Isotope labeling	Type	Concentration
3	Influenza B M2 Proton Channel	[U-13C; U-15N] and 4-19F-F5, 4-19F-F20		0.13 (±0.02) mg/uL
4	POPE	natural abundance		0.39 (±0.05) mg/uL

Chemical shift validation 3 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr30645_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: bmr30645_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chemical_shifts_1	Warning	198		80.4 (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: 80.4%
- Total number of assignments
  - ¹³C chemical shifts: 171
  - ¹⁵N chemical shifts: 27
- Completeness of assignments
  - Entity_assemble_ID: 1
- 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

Comp_index_ID	Comp_ID	Atom_ID	CS value (ppm)
3	GLU	CD	181.6
4	PRO	N	137.1
6	GLN	CD	178.5
19	HIS	CG	135.3
23	TRP	CG	111.8
23	TRP	CD2	128.3
23	TRP	CE2	137.0
27	HIS	CG	135.9
32	LYS	NZ	33.7
33	ARG	CZ	157.5

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	251	163	64.9
¹⁵N chemical shifts	59	25	42.4

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	102	67	65.7
¹⁵N chemical shifts	49	24	49.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	149	96	64.4
¹⁵N chemical shifts	10	1	10.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	33	22	66.7

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	29	13	44.8
¹⁵N chemical shifts	1	1	100.0

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 (0.617 seconds)

BMRB: 30645

Sample #1

Sample #2

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

Experiments performed 7 experiments Detail

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Chemical shift validation 3 contents Detail