BMRB Entry 26507

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR26507

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Title:
Whole-Body Rocking Motion of a Fusion Peptide in Lipid Bilayers from Size-Dispersed 15N NMR Relaxation
Deposition date:
2015-02-11
Original release date:
2015-02-13
Authors:
Lorieau, Justin; Louis, John; Bax, Ad
Citation:

Citation: Lorieau, Justin; Louis, John; Bax, Ad. "Whole-Body Rocking Motion of a Fusion Peptide in Lipid Bilayers from Size-Dispersed 15N NMR Relaxation"  J. Am. Chem. Soc. 133, 14184-14187 (2011).
PubMed: 21848255

Assembly members:

Assembly members:
HAfp23, polymer, 30 residues, Formula weight is not available
1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, non-polymer, 678.940 Da.

Natural source:

Natural source:   Common Name: not available   Taxonomy ID: not available   Superkingdom: not available   Kingdom: not available   Genus/species: not available not available

Experimental source:

Experimental source:   Production method: purified from the natural source

Entity Sequences (FASTA):

Entity Sequences (FASTA):
HAfp23: GLFGAIAGFIEGGWTGMIDG WYGSGKKKKD

Data sets:
Data typeCount
heteronuclear NOE values63
T1 relaxation values174
T2 relaxation values174
order parameters150

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1HAfp231
2DMPC2

Entities:

Entity 1, HAfp23 30 residues - Formula weight is not available

1   GLYLEUPHEGLYALAILEALAGLYPHEILE
2   GLUGLYGLYTRPTHRGLYMETILEASPGLY
3   TRPTYRGLYSERGLYLYSLYSLYSLYSASP

Entity 2, DMPC - C36 H73 N O8 P - 678.940 Da.

1   PX4

Samples:

sample_1: HAfp23, [U-100% 13C; U-100% 15N; U-100% 2H], 30 uM; DPC 3.8 mM; DMSO mM; 2H-Tris buffer mM; HEPES/MES 18 mM; H2O 93%; D2O 7%

sample_2: HAfp23, [U-100% 13C; U-100% 15N; U-100% 2H], 30 uM; q=0.29 3.8 mM; DMSO mM; 2H-Tris buffer mM; HEPES/MES 18 mM; H2O 93%; D2O 7%

sample_3: HAfp23, [U-100% 13C; U-100% 15N; U-100% 2H], 30 uM; q=0.52 3.8 mM; DMSO mM; 2H-Tris buffer mM; HEPES/MES 18 mM; H2O 93%; D2O 7%

sample_4: HAfp23, [U-100% 13C; U-100% 15N; U-100% 2H], 30 uM; q=0.55 3.8 mM; DMSO mM; 2H-Tris buffer mM; HEPES/MES 18 mM; H2O 93%; D2O 7%

sample_5: HAfp23, [U-100% 13C; U-100% 15N; U-100% 2H], 30 uM; q=0.69 3.8 mM; DMSO mM; 2H-Tris buffer mM; HEPES/MES 18 mM; H2O 93%; D2O 7%

sample_conditions_1: pH: 7.3; temperature: 305 K; pressure: 1 atm

sample_conditions_2: temperature: 305 K; pressure: 1 atm; pH: 7.1

sample_conditions_3: temperature: 305 K; pressure: 1 atm; pH: 7.4

sample_conditions_4: pH: 7.2; temperature: 305 K; pressure: 1 atm

sample_conditions_5: temperature: 305 K; pressure: 1 atm; pH: 6.5

Experiments:

NameSampleSample stateSample conditions
1H-15N HSQC 1sample_1isotropicsample_conditions_1
1H-15N HSQC 2sample_1isotropicsample_conditions_1
1H-15N HSQC 3sample_2isotropicsample_conditions_2
1H-15N HSQC 4sample_2isotropicsample_conditions_3
1H-15N HSQC 5sample_3isotropicsample_conditions_4
1H-15N HSQC 6sample_4isotropicsample_conditions_5
1H-15N HSQC 7sample_4isotropicsample_conditions_5
1H-15N TROSY 1sample_5isotropicsample_conditions_2
1H-15N HSQC 8sample_2isotropicsample_conditions_2
1H-15N HSQC 9sample_2isotropicsample_conditions_2
1H-15N HSQC 10sample_4isotropicsample_conditions_5
1H-15N HSQC 11sample_4isotropicsample_conditions_5
1H-15N TROSY 2sample_5isotropicsample_conditions_2
1H-15N TROSY 3sample_5isotropicsample_conditions_2

Software:

NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing, data analysis

Sparky, Goddard - data analysis, processing

MINUIT, CERN - data analysis

NMR spectrometers:

  • Bruker Avance III 500 MHz
  • Bruker DMX 600 MHz
  • Bruker Avance III 600 MHz
  • Bruker Avance III 900 MHz

Related Database Links:

BMRB 16907
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