BMRB Entry 16907

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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full
BMRB Entry DOI: doi:10.13018/BMR16907
MolProbity Validation Chart

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Title:
The hemagglutinin fusion peptide (H1 subtype) at pH 7.4
Deposition date:
2010-04-29
Original release date:
2010-07-28
Authors:
Lorieau, Justin; Louis, John; Bax, Ad
Citation:

Citation: Lorieau, Justin; Louis, John; Bax, Ad. "The complete influenza hemagglutinin fusion domain adopts a tight helical hairpin arrangement at the lipid:water interface."  Proc. Natl. Acad. Sci. U.S.A. 107, 11341-11346 (2010).
PubMed: 20534508

Assembly members:

Assembly members:
HAfp, polymer, 30 residues, Formula weight is not available

Natural source:

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

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli   Vector: pET15b

Entity Sequences (FASTA):

Entity Sequences (FASTA):
HAfp: GLFGAIAGFIEGGWTGMIDG WYGSGKKKKD

Data sets:
Data typeCount
13C chemical shifts76
15N chemical shifts23
1H chemical shifts147
heteronuclear NOE values43
H exchange rates22
T1 relaxation values43
T2 relaxation values43

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
  • Hide all

Assembly:

Entity Assembly IDEntity NameEntity ID
1HAfp1

Entities:

Entity 1, HAfp 30 residues - Formula weight is not available

1   GLYLEUPHEGLYALAILEALAGLYPHEILE
2   GLUGLYGLYTRPTHRGLYMETILEASPGLY
3   TRPTYRGLYSERGLYLYSLYSLYSLYSASP

Samples:

HAfp_H2O_1: HAfp, [U-13C; U-15N; U-2H], 0.6 – 0.8 mM; D2O, [U-2H], 7%; TRIS, [U-99% 2H], 25 mM; DPC, [U-99% 2H], 130 – 180 mM

HAfp_D2O_1: HAfp, [U-13C; U-15N], 0.6 – 0.8 mM; TRIS, [U-99% 2H], 25 mM; DPC, [U-99% 2H], 130 – 180 mM

HAfp_H2O_2: HAfp, [U-13C; U-15N], 0.6 – 0.8 mM; D2O, [U-2H], 7%; TRIS, [U-99% 2H], 25 mM; DPC, [U-99% 2H], 130 – 180 mM

HAfp_H2O_3: HAfp, [U-15N], 0.6 – 0.8 mM; D2O, [U-2H], 7%; TRIS, [U-99% 2H], 25 mM; DPC, [U-99% 2H], 130 – 180 mM

HAfp_D2O_2: HAfp, [U-15N], 0.6 – 0.8 mM; TRIS, [U-99% 2H], 25 mM; DPC, [U-99% 2H], 130 – 180 mM

pH_7.4: ionic strength: 0 M; pH: 7.4; pressure: 1 atm; temperature: 305 K

pH_4.0: ionic strength: 0 M; pH: 4.0; pressure: 1 atm; temperature: 305 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCHAfp_H2O_1isotropicpH_7.4
2D 1H-13C HSQCHAfp_D2O_1isotropicpH_7.4
2D 1H-1H NOESYHAfp_D2O_1isotropicpH_7.4
3D HNCOHAfp_H2O_1isotropicpH_7.4
3D HNCAHAfp_H2O_1isotropicpH_7.4
3D HN(CO)CAHAfp_H2O_1isotropicpH_7.4
3D 1H-15N NOESYHAfp_H2O_1isotropicpH_7.4
2D 1H-15N HSQCHAfp_H2O_1isotropicpH_4.0
2D 1H-13C HSQCHAfp_H2O_1isotropicpH_4.0
3D HN(CO)CAHAfp_H2O_1isotropicpH_4.0

Software:

SPARKY v3.113, Goddard - chemical shift assignment, data analysis, peak picking

NMRPipe v5.0, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - data analysis, peak picking, processing

NMRDraw v5.0, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - data analysis, peak picking

ModelFree v4.2, Palmer - data analysis

PSVS v1.4, Bhattacharya and Montelione - data analysis

TALOS v1.2009.0721.18, Cornilescu, Delaglio and Bax - data analysis

X-PLOR NIH v2.24, Schwieters, Kuszewski, Tjandra and Clore - refinement, structure solution

NMR spectrometers:

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

Related Database Links:

BMRB 26507
PDB
DBJ BAA00718 BAA00722 BAA01280 BAA02765 BAA02766
EMBL CAA24272 CAA35094 CAA42444 CAA82950 CAA86560
GB AAA16879 AAA16880 AAA19934 AAA43171 AAA43172
PIR HMIV HMIV17 HMIV5 HMIVN1 HMIVSA
PRF 0707273A
REF NP_040980 YP_163736
SP A3DRP0 A4GBX7 A4GCH5 A4GCI6 A4GCJ7
AlphaFold A3DRP0 A4GBX7 A4GCH5 A4GCI6 A4GCJ7

Download HSQC peak lists in one of the following formats:
CSV: Backbone or all simulated peaks
SPARKY: Backbone or all simulated peaks