BMRB Entry 16667

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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR16667
MolProbity Validation Chart

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Title:
Structure of the insecticidal toxin TaITX-1
Deposition date:
2010-01-07
Original release date:
2015-06-19
Authors:
Mobli, Mehdi; King, Glenn
Citation:

Citation: Mobli, Mehdi; Grimm, Lena; Low, Chek-Fong; Volker, Herzig; Bryan, Fry; King, Glenn. "Weaponization of a hormone: recruitment of hyperglycemic hormone into the venom of spiders"  To be Published ., .-..

Assembly members:

Assembly members:
Ta1a, polymer, 51 residues, 5781.414 Da.

Natural source:

Natural source:   Common Name: Hobo spider   Taxonomy ID: 73900   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Tegenaria agrestis

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli   Vector: n/a

Entity Sequences (FASTA):

Entity Sequences (FASTA):
Ta1a: SEPDEICRARMTHKEFNYKS NVCNGCGDQVAACEAECFRN DVYTACHEAQK

Data sets:
Data typeCount
13C chemical shifts183
15N chemical shifts55
1H chemical shifts314

Additional metadata:

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

Entity Assembly IDEntity NameEntity ID
1Ta1a1

Entities:

Entity 1, Ta1a 51 residues - 5781.414 Da.

Residue Ser1 is a non-native residue resulting from TEV protease cleavage.

1   SERGLUPROASPGLUILECYSARGALAARG
2   METTHRHISLYSGLUPHEASNTYRLYSSER
3   ASNVALCYSASNGLYCYSGLYASPGLNVAL
4   ALAALACYSGLUALAGLUCYSPHEARGASN
5   ASPVALTYRTHRALACYSHISGLUALAGLN
6   LYS

Samples:

sample_1: Ta1a, [U-100% 13C; U-100% 15N], 150 uM; H2O 95%; D2O 5%

sample_2: Ta1a, [U-100% 13C; U-100% 15N], 150 uM; D2O 100%

sample_conditions_1: ionic strength: 1 mM; pH: 4.4; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
3D CBCA(CO)NHsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D 1H-15N NOESYsample_1isotropicsample_conditions_1
4D HCC(CO)NHsample_1isotropicsample_conditions_1
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
3D 1H-13C NOESYsample_2isotropicsample_conditions_1

Software:

CYANA v2.1, P.GUNTERT ET AL. - NOESY assignment, refinement, structure solution

NMR spectrometers:

  • Bruker Avance 900 MHz

Related Database Links:

UNP O46166
ArachnoServer AS000349
PDB
EMBL CAA11839
SP O46166
AlphaFold O46166 O46166

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