BMRB Entry 17593

Chem Shift validation: AVS_anomalous, AVS_full
BMRB Entry DOI: doi:10.13018/BMR17593

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Title:
NMR analysis of TM1_TM2 in TFE:water(0.1%TFA) (1:1)
Deposition date:
2011-04-14
Original release date:
2012-08-07
Authors:
Cohen, Leah; Zerbe, Oliver; Naider, Fred; Arshava, Boris
Citation:

Citation: Cohen, Leah; Arshava, Boris; Neumoin, Alexey; Becker, Jeffrey; Geuntert, Peter; Zerbe, Oliver; Naider, Fred. "Comparative NMR analysis of an 80-residue G protein-coupled receptor fragment in two membrane mimetic environments"  Biochim. Biophys. Acta 1808, 2674-2684 (2011).
PubMed: 21791199

Assembly members:

Assembly members:
TM1_TM2, polymer, 80 residues, Formula weight is not available

Natural source:

Natural source:   Common Name: Baker's yeast   Taxonomy ID: 4932   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Saccharomyces cerevisiae

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli   Vector: pLC01

Entity Sequences (FASTA):

Entity Sequences (FASTA):
TM1_TM2: GNGSTITFDELQGLVNSTVT QAILFGVRSGAAALTLIVVW ITSRSRKTPIFIINQVSLFL IILHSALYFKYLLSNYSSVT

Data sets:
Data typeCount
13C chemical shifts313
15N chemical shifts89
1H chemical shifts575

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1TM1_TM21

Entities:

Entity 1, TM1_TM2 80 residues - Formula weight is not available

1   GLYASNGLYSERTHRILETHRPHEASPGLU
2   LEUGLNGLYLEUVALASNSERTHRVALTHR
3   GLNALAILELEUPHEGLYVALARGSERGLY
4   ALAALAALALEUTHRLEUILEVALVALTRP
5   ILETHRSERARGSERARGLYSTHRPROILE
6   PHEILEILEASNGLNVALSERLEUPHELEU
7   ILEILELEUHISSERALALEUTYRPHELYS
8   TYRLEULEUSERASNTYRSERSERVALTHR

Samples:

sample_1: TFE, TFE-d2, 50%; H2O 50%; TFA 0.05%; TM1_TM2, [U-100% 13C; U-100% 15N], 0.5 mM

sample_2: TFE, TFE-d3, 50%; D2O, [U-2H], 50%; TFA, TFA-d, 0.05%; TM1_TM2, [U-100% 15N], 0.3 mM

sample_3: TFE, TFE-d2, 50%; H2O 50%; TFA 0.05%; TM1_TM2, [U-100% 15N], 0.3 mM

sample_4: TFE, TFE-d2, 50%; H2O 50%; TFA 0.05%; TM1_TM2, [U-13C; U-15N], 0.5 mM

sample_5: TFE, TFE-d3, 50%; D2O, [U-100% 2H], 50%; TFA, TFA-d, 0.05%; TM1_TM2, [U-100% 13C; U-100% 15N; >98% 2H; Me(Ile(Hd1), Leu(Hd), Val(Hg)) 1H], 0.4 mM

sample_6: TFE, TFE-d2, 50%; H2O 50%; TFA 0.05%; TM1_TM2 0.5 mM

sample_7: TFE, TFE-d2, 50%; H2O 50%; TFA 0.05%; TM1_TM2, [U-100% 15N], 0.3 mM

sample_conditions_1: pH: 2; pressure: 1.0 atm; temperature: 273 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
3D 1H-15N NOESYsample_3isotropicsample_conditions_1
3D 1H-15N TOCSYsample_3isotropicsample_conditions_1
3D HNCAsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D H(CA)COsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D HCCH-TOCSYsample_4isotropicsample_conditions_1
3D 1H-13C TOCSYsample_4isotropicsample_conditions_1
2D 1H-1H NOESYsample_6isotropicsample_conditions_1
2D 1H-1H TOCSYsample_6isotropicsample_conditions_1
3D 1H-13C NOESYsample_4isotropicsample_conditions_1
2D 1H-15N HSQCsample_7isotropicsample_conditions_1
3D 1H-13C HSQC-NOESY-HSQCsample_5isotropicsample_conditions_1
2D 1H-13C HSQCsample_5isotropicsample_conditions_1
HMCM(CBCA)NH_leu/ilesample_5isotropicsample_conditions_1
HMCM(CA)NH_valsample_5isotropicsample_conditions_1
2D 1H-15N HSQCsample_2isotropicsample_conditions_1
2D 1H-13C HSQCsample_5isotropicsample_conditions_1

Software:

CYANA v3.0, Guntert, Mumenthaler and Wuthrich - refinement

XEASY v55, Bartels et al. - structure solution

CARA, Keller and Wuthrich - chemical shift assignment

NMRView v5, Johnson, One Moon Scientific - chemical shift assignment

NMR spectrometers:

  • Varian Direct Drive NMR System 600 MHz
  • Bruker Avance 900 MHz
  • Bruker Avance 700 MHz

Related Database Links:

BMRB 15995 17211
PDB

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