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 19841

Title: Solution Structures of active Ptr ToxB and its Inactive Ortholog   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, 65 residues, 6623.537 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: NCTANILNINEVVIATGCVP AGGNLIIRVGSDHSYLIRAT VSCGLSLNPSQSFINGESLA SGGRC

Data sets:
Data typeCount
13C chemical shifts192
15N chemical shifts69
1H chemical shifts426

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
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Assembly:

Entity Assembly IDEntity NameEntity ID
1Ptr ToxB1

Entities:

Entity 1, Ptr ToxB 65 residues - 6623.537 Da.

1   ASNCYSTHRALAASNILELEUASNILEASN
2   GLUVALVALILEALATHRGLYCYSVALPRO
3   ALAGLYGLYASNLEUILEILEARGVALGLY
4   SERASPHISSERTYRLEUILEARGALATHR
5   VALSERCYSGLYLEUSERLEUASNPROSER
6   GLNSERPHEILEASNGLYGLUSERLEUALA
7   SERGLYGLYARGCYS

Samples:

sample_1: D2O 10%; sodium phosphate 10 mM; H2O 90%; entity, [U-13C; U-15N], 0.5 mM

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
  • Bruker DRX 700 MHz

Related Database Links:

PDB
GB AAM00019 AAO49372

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