BMRB Entry 18617

Name: Conformational ensemble for the G8A mutant of the influenza hemagglutinin fusion peptide
Published: 2012-12-04

Click here to enlarge.

PDB ID: 2lwa
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR18617
MolProbity Validation Chart

NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
XML gzip file.
RDF gzip file.
All files associated with the entry

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

Select model:

I am color blind

Download raw data. Direct link to this display. Help

Title:

Conformational ensemble for the G8A mutant of the influenza hemagglutinin fusion peptide

Deposition date:

2012-07-26

Original release date:

2012-12-04

Authors:

Lorieau, Justin; Louis, John; Schwieters, Charles; Bax, Ad

Citation:

Citation: Lorieau, Justin; Louis, John; Schwieters, Charles; Bax, Ad. "pH-triggered, activated-state conformations of the influenza hemagglutinin fusion peptide revealed by NMR" Proc. Natl. Acad. Sci. U. S. A. 109, 19994-19999 (2012).
PubMed: 23169643

Assembly members:

Assembly members:
Hemagglutinin_Fusion_Peptide_G8A_mutant, polymer, 30 residues, 3165.648 Da.

Natural source:

Natural source: Common Name: Influenza A virus Taxonomy ID: 11320 Superkingdom: Viruses Kingdom: not available Genus/species: Influenzavirus A Influenza A virus

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pET11a

Entity Sequences (FASTA):

Entity Sequences (FASTA):
Hemagglutinin_Fusion_Peptide_G8A_mutant: GLFGAIAAFIEGGWTGMIDG WYGSGKKKKD

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	23
15N chemical shifts	21
1H chemical shifts	51
heteronuclear NOE values	21
H exchange rates	21
T1 relaxation values	42
T2 relaxation values	42

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
Hide all

Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	Hemagglutinin_Fusion_Peptide_G8A_mutant, strand 1	1
2	Hemagglutinin_Fusion_Peptide_G8A_mutant, strand 2	1
3	Hemagglutinin_Fusion_Peptide_G8A_mutant, strand 3	1

Entities:

Entity 1, Hemagglutinin_Fusion_Peptide_G8A_mutant, strand 1 30 residues - 3165.648 Da.

1	GLY	LEU	PHE	GLY	ALA	ILE	ALA	ALA	PHE	ILE
2	GLU	GLY	GLY	TRP	THR	GLY	MET	ILE	ASP	GLY
3	TRP	TYR	GLY	SER	GLY	LYS	LYS	LYS	LYS	ASP

Samples:

sample_1: Hemagglutinin Fusion Peptide G8A mutant, [U-100% 13C; U-100% 15N], 0.3 – 0.6 mM; TRIS 25 mM; DPC, [U-100% 2H], 130 – 160 mM; D2O 7%; H2O 93%

sample_conditions_1: ionic strength: 0 M; pH: 7.3; pressure: 1 atm; temperature: 305.0 K

sample_conditions_2: ionic strength: 0 M; pH: 7.4; pressure: 1 atm; temperature: 305.0 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-13C HSQC	sample_1	isotropic	sample_conditions_1
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
3D HNCA	sample_1	isotropic	sample_conditions_1
3D 1H-15N NOESY	sample_1	isotropic	sample_conditions_1
2D 1H-1H NOESY	sample_1	isotropic	sample_conditions_1

Software:

NMRPipe v7.5, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing

SPARKY v3.113, Goddard - chemical shift assignment

X-PLOR NIH v2.31, Schwieters, Kuszewski, Tjandra and Clore - refinement

NMR spectrometers:

Bruker Avance 900 MHz
Bruker Avance 600 MHz
Bruker Avance 500 MHz
Bruker Avance 750 MHz

PDB	2LWA
GB	AEL63841

1	GLY	LEU	PHE	GLY	ALA	ILE	ALA	ALA	PHE	ILE
2	GLU	GLY	GLY	TRP	THR	GLY	MET	ILE	ASP	GLY
3	TRP	TYR	GLY	SER	GLY	LYS	LYS	LYS	LYS	ASP

1	GLY	LEU	PHE	GLY	ALA	ILE	ALA	ALA	PHE	ILE
2	GLU	GLY	GLY	TRP	THR	GLY	MET	ILE	ASP	GLY
3	TRP	TYR	GLY	SER	GLY	LYS	LYS	LYS	LYS	ASP