BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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BMRB Entry 19840

Title: ToxB   PubMed: 25063993

Deposition date: 2014-03-06 Original release date: 2014-08-04

Authors: Nyarko, Afua; Singarapu, Kiran; Figueroa, Melania; Manning, Viola; Pandelova, Iovanna; Wolpert, Thomas; Ciuffetti, Lynda; Barbar, Elisar

Citation: Nyarko, Afua; Singarapu, Kiran; Figueroa, Melania; Manning, Viola; Pandelova, Iovanna; Wolpert, Thomas; Ciuffetti, Lynda; Barbar, Elisar. "Solution NMR Structures of Pyrenophora tritici-repentis ToxB and Its Inactive Homolog Reveal Potential Determinants of Toxin Activity."  J. Biol. Chem. 289, 25946-25956 (2014).

Assembly members:
entity, polymer, 64 residues, 6546.450 Da.

Natural source:   Common Name: Bread wheat   Taxonomy ID: 4565   Superkingdom: Eukaryota   Kingdom: Viridiplantae   Genus/species: Triticum aestivum

Experimental source:   Production method: recombinant technology   Host organism: Pichia pastoris

Entity Sequences (FASTA):
entity: NCVANILNINEAVIATGCVP AGGELRIFVGSSHSYLIKAT SSCGLSLTNQVFINGESVQS GGRC

Data sets:
Data typeCount
13C chemical shifts186
15N chemical shifts62
1H chemical shifts404

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1ToxB1

Entities:

Entity 1, ToxB 64 residues - 6546.450 Da.

1   ASNCYSVALALAASNILELEUASNILEASN
2   GLUALAVALILEALATHRGLYCYSVALPRO
3   ALAGLYGLYGLULEUARGILEPHEVALGLY
4   SERSERHISSERTYRLEUILELYSALATHR
5   SERSERCYSGLYLEUSERLEUTHRASNGLN
6   VALPHEILEASNGLYGLUSERVALGLNSER
7   GLYGLYARGCYS

Samples:

sample_1: D2O 10%; sodium phosphate 10 mM; H2O 90%; entity, [U-13C; U-15N], 0.8

sample_conditions_1: ionic strength: 10 mM; pH: 6.0; pressure: 1 atm; temperature: 273 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
2D 1H-13C HSQCsample_1isotropicsample_conditions_1
3D CBCA(CO)NHsample_1isotropicsample_conditions_1
3D HBHA(CO)NHsample_1isotropicsample_conditions_1
3D H(CCO)NHsample_1isotropicsample_conditions_1
3D C(CO)NHsample_1isotropicsample_conditions_1
3D HCCH-TOCSYsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D 1H-15N NOESYsample_1isotropicsample_conditions_1
3D 1H-13C NOESYsample_1isotropicsample_conditions_1

Software:

CYANA v3.0, Guntert, Mumenthaler and Wuthrich - structure solution

NMR spectrometers:

  • Bruker DRX 600 MHz
  • Varian INOVA 800 MHz

Related Database Links:

PDB
GB AAK31287 AAN39056 AAO49371 AAO49373 AAO49374

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