BMRB Entry 19830

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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR19830
MolProbity Validation Chart

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Title:
Structural and biochemical characterization of Jaburetox
Deposition date:
2014-03-04
Original release date:
2015-01-20
Authors:
Dobrovolska, Olena; Lopez, Fernanda; Ciurli, Stefano; Zambelli, Barbara; Carlini, Celia
Citation:

Citation: Dobrovolska, Olena; Lopez, Fernanda; Zambelli, Barbara; Carlini, Celia; Ciurli, Stefano. "1H, 13C, 15N resonance assignments of reduced Jaburetox"  FEBS ., .-..

Assembly members:

Assembly members:
Jbtx, polymer, 93 residues, Formula weight is not available

Natural source:

Natural source:   Common Name: jack bean   Taxonomy ID: 3823   Superkingdom: Eukaryota   Kingdom: Viridiplantae   Genus/species: Canavalia ensiformis

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli   Vector: pET-23a

Entity Sequences (FASTA):

Entity Sequences (FASTA):
Jbtx: MGPVNEANCKAAMEIVCRRE FGHKEEEDASEGVTTGDPDC PFTKAIPREEYANKYGPTIG DKIRLGDTDLIAEIEKDFAL YGDESVFGGGKVI

Data sets:
Data typeCount
13C chemical shifts297
15N chemical shifts84
1H chemical shifts487

Additional metadata:

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

Entity Assembly IDEntity NameEntity ID
1Jaburetox1

Entities:

Entity 1, Jaburetox 93 residues - Formula weight is not available

1   METGLYPROVALASNGLUALAASNCYSLYS
2   ALAALAMETGLUILEVALCYSARGARGGLU
3   PHEGLYHISLYSGLUGLUGLUASPALASER
4   GLUGLYVALTHRTHRGLYASPPROASPCYS
5   PROPHETHRLYSALAILEPROARGGLUGLU
6   TYRALAASNLYSTYRGLYPROTHRILEGLY
7   ASPLYSILEARGLEUGLYASPTHRASPLEU
8   ILEALAGLUILEGLULYSASPPHEALALEU
9   TYRGLYASPGLUSERVALPHEGLYGLYGLY
10   LYSVALILE

Samples:

sample_1: Jbtx, [U-99% 13C; U-99% 15N], 1 mM; sodium phosphate 50 mM; EDTA 1 mM; TCEP 1 mM; D2O 5%; H2O 95%

sample_conditions_1: pH: 6.5; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D HNCAsample_1isotropicsample_conditions_1
3D HN(CO)CAsample_1isotropicsample_conditions_1
3D 1H-15N NOESYsample_1isotropicsample_conditions_1
3D 1H-13C NOESYsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D CBCA(CO)NHsample_1isotropicsample_conditions_1
3D 1H-15N TOCSYsample_1isotropicsample_conditions_1
3D HCCH-TOCSYsample_1isotropicsample_conditions_1
3D HBHA(CO)NHsample_1isotropicsample_conditions_1

Software:

TOPSPIN v3.2, Bruker Biospin - processing

NMR spectrometers:

  • Bruker Avance 800 MHz

Related Database Links:

PDB
GB AAN08919 ACL14297

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