BMRB Entry 51943

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR51943

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Title:
Solution State NMR Chemical Shift Assignments for Yeast Peroxiredoxin Tsa1 mutated S78D - Backbone 1H, 13C, and 15N and ILV methyl groups
Deposition date:
2023-04-26
Original release date:
2023-05-25
Authors:
Troussicot, Laura; Vallet, Alicia; Molin, Mikael; Burmann, Bjorn; Schanda, Paul
Citation:

Citation: Troussicot, Laura; Vallet, Alicia; Molin, Mikael; Burmann, Bjorn; Schanda, Paul. "Disulfide-Bond-Induced Structural Frustration and Dynamic Disorder in a Peroxiredoxin from MAS NMR"  J. Am. Chem. Soc. 145, 10700-10711 (2023).
PubMed: 37140345

Assembly members:

Assembly members:
entity_1, polymer, 196 residues, Formula weight is not available

Natural source:

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

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli   Vector: pET19b-Tsa1

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: MVAQVQKQAPTFKKTAVVDG VFDEVSLDKYKGKYVVLAFI PLAFTFVCPTEIIAFSEAAK KFEEQGAQVLFASTDSEYDL LAWTNIPRKEGGLGPINIPL LADTNHSLSRDYGVLIEEEG VALRGLFIIDPKGVIRHITI NDLPVGRNVDEALRLVEAFQ WTDKNGTVLPCNWTPGAATI KPTVEDSKEYFEAANK

Data sets:
Data typeCount
13C chemical shifts578
15N chemical shifts147
1H chemical shifts429

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1Tsa1-S78D1

Entities:

Entity 1, Tsa1-S78D 196 residues - Formula weight is not available

1   METVALALAGLNVALGLNLYSGLNALAPRO
2   THRPHELYSLYSTHRALAVALVALASPGLY
3   VALPHEASPGLUVALSERLEUASPLYSTYR
4   LYSGLYLYSTYRVALVALLEUALAPHEILE
5   PROLEUALAPHETHRPHEVALCYSPROTHR
6   GLUILEILEALAPHESERGLUALAALALYS
7   LYSPHEGLUGLUGLNGLYALAGLNVALLEU
8   PHEALASERTHRASPSERGLUTYRASPLEU
9   LEUALATRPTHRASNILEPROARGLYSGLU
10   GLYGLYLEUGLYPROILEASNILEPROLEU
11   LEUALAASPTHRASNHISSERLEUSERARG
12   ASPTYRGLYVALLEUILEGLUGLUGLUGLY
13   VALALALEUARGGLYLEUPHEILEILEASP
14   PROLYSGLYVALILEARGHISILETHRILE
15   ASNASPLEUPROVALGLYARGASNVALASP
16   GLUALALEUARGLEUVALGLUALAPHEGLN
17   TRPTHRASPLYSASNGLYTHRVALLEUPRO
18   CYSASNTRPTHRPROGLYALAALATHRILE
19   LYSPROTHRVALGLUASPSERLYSGLUTYR
20   PHEGLUALAALAASNLYS

Samples:

sample_1: Tsa1-S78D, [U-13C; U-15N; U-2H], 0.625 mM

sample_2: Tsa1-S78D-ILV, [U-13C; U-15N; U-2H; 99% 1HD-Ile,Leu; 99% 1HG-Val], 0.55 mM

sample_conditions_1: ionic strength: 0.05 M; pH: 7.4; pressure: 1 atm; temperature: 310 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N TROSYsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D HNCAsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D HN(CA)COsample_1isotropicsample_conditions_1
3D HN(CO)CACBsample_1isotropicsample_conditions_1
3D HN(CO)CAsample_1isotropicsample_conditions_1
3D CBCA(CO)NHsample_1isotropicsample_conditions_1
3D HBHA(CO)NHsample_1isotropicsample_conditions_1
3D HCCH-TOCSYsample_1isotropicsample_conditions_1
2D 1H-13C HMQCsample_2isotropicsample_conditions_1
3D 1H-13C NOESYsample_2isotropicsample_conditions_1

Software:

CARA - chemical shift assignment, data analysis, peak picking

TOPSPIN - collection

MddNMR - processing

NMR spectrometers:

  • Bruker AVANCE III 700 MHz
  • Bruker AVANCE III 800 MHz

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