BMRB Entry 18617
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR18617
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Title: Conformational ensemble for the G8A mutant of the influenza hemagglutinin fusion peptide PubMed: 23169643
Deposition date: 2012-07-26 Original release date: 2012-12-04
Authors: Lorieau, Justin; Louis, John; Schwieters, Charles; Bax, Ad
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).
Assembly members:
Hemagglutinin_Fusion_Peptide_G8A_mutant, polymer, 30 residues, 3165.648 Da.
Natural source: Common Name: Influenza A virus Taxonomy ID: 11320 Superkingdom: Viruses Kingdom: not available Genus/species: Influenzavirus A Influenza A virus
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
Hemagglutinin_Fusion_Peptide_G8A_mutant: GLFGAIAAFIEGGWTGMIDG
WYGSGKKKKD
- assigned_chemical_shifts
| 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:
| 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
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts