BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules 		Member of WWPDB

BMRB Entry 51788

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR51788

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Title: Solid-State NMR Assignment of Tsa1 Wild Type, a decameric Peroxiredoxin, in its native oxidized state   PubMed: 37140345

Deposition date: 2023-01-20 Original release date: 2023-04-26

Authors: Troussicot, Laura; Vallet, Alicia; Molin, Mikael; Burmann, Bjorn; Schanda, Paul

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).

Assembly members:
entity_1, polymer, 196 residues, 21590 Da.

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

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

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

Data sets:
Data typeCount
13C chemical shifts248
15N chemical shifts86
1H chemical shifts86

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1TSA1, chain 11
2TSA1, chain 21
3TSA1, chain 31
4TSA1, chain 41
5TSA1, chain 51
6TSA1, chain 61
7TSA1, chain 71
8TSA1, chain 81
9TSA1, chain 91
10TSA1, chain 101

Entities:

Entity 1, TSA1, chain 1 196 residues - 21590 Da.

1   METVALALAGLNVALGLNLYSGLNALAPRO
2   THRPHELYSLYSTHRALAVALVALASPGLY
3   VALPHEASPGLUVALSERLEUASPLYSTYR
4   LYSGLYLYSTYRVALVALLEUALAPHEILE
5   PROLEUALAPHETHRPHEVALCYSPROTHR
6   GLUILEILEALAPHESERGLUALAALALYS
7   LYSPHEGLUGLUGLNGLYALAGLNVALLEU
8   PHEALASERTHRASPSERGLUTYRSERLEU
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: Homodecameric_TSA1_Native, [U-13C; U-15N; U-2H], 2.5 mg; Phosphate buffer 0.05 M

sample_conditions_1: ionic strength: 0.05 M; pH: 7.4; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D hNHsample_1isotropicsample_conditions_1
3D hCONHsample_1isotropicsample_conditions_1
3D hCOcaNHsample_1isotropicsample_conditions_1
3D hCANHsample_1isotropicsample_conditions_1
3D hCAcoNHsample_1isotropicsample_conditions_1
3D hNcocaNHsample_1isotropicsample_conditions_1
3D hcaCBcaNHsample_1isotropicsample_conditions_1
3D hcaCBcacoNHsample_1isotropicsample_conditions_1
3D hNcacoNHsample_1isotropicsample_conditions_1
3D hcaCBCAcoNHsample_1isotropicsample_conditions_1
4D hCOCANHsample_1isotropicsample_conditions_1
4DhcaCBCANHsample_1isotropicsample_conditions_1
4D hCACONHsample_1isotropicsample_conditions_1

Software:

CcpNMR v3.1 - chemical shift assignment, data analysis

TOPSPIN - collection, processing

NMR spectrometers:

  • Bruker AVANCE III 600 MHz

Related Database Links:

UNP P34760
AlphaFold D6VZE6

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