BMRB Entry 17681

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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, SPARTA
BMRB Entry DOI: doi:10.13018/BMR17681
MolProbity Validation Chart

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Title:
Solution Structure of a Short-chain LaIT1 from the Venom of Scorpion Liocheles australasiae
Deposition date:
2011-06-01
Original release date:
2011-08-25
Authors:
Horita, Shoichiro; Miyakawa, Takuya; Nagata, Koji; Tanokura, Masaru
Citation:

Citation: Horita, Shoichiro; Matsushita, Nobuto; Kawachi, Tomoyuki; Ayabe, Reed; Miyashita, Masahiro; Miyakawa, Takuya; Nakagawa, Yoshiaki; Nagata, Koji; Miyagawa, Hisashi; Tanokura, Masaru. "Solution structure of a short-chain insecticidal toxin LaIT1 from the venom of scorpion Liocheles australasiae"  Biochem. Biophys. Res. Commun. 411, 738-744 (2011).
PubMed: 21782787

Assembly members:

Assembly members:
entity, polymer, 36 residues, 4215.021 Da.

Natural source:

Natural source:   Common Name: Liocheles australasiae   Taxonomy ID: 431266   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Liocheles australasiae

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli   Vector: pET32a

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity: DFPLSKEYETCVRPRKCQPP LKCNKAQICVDPKKGW

Data sets:
Data typeCount
13C chemical shifts100
15N chemical shifts35
1H chemical shifts215

Additional metadata:

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

Entity Assembly IDEntity NameEntity ID
1LaIt_11

Entities:

Entity 1, LaIt_1 36 residues - 4215.021 Da.

1   ASPPHEPROLEUSERLYSGLUTYRGLUTHR
2   CYSVALARGPROARGLYSCYSGLNPROPRO
3   LEULYSCYSASNLYSALAGLNILECYSVAL
4   ASPPROLYSLYSGLYTRP

Samples:

sample_1: H2O 90%; D2O 10%; MES 20 mM; sodium chloride 50 mM; LaIt_1, [U-13C; U-15N; U-1H], 1.5 mM

sample_conditions_1: pH: 6.0; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D HN(CO)CAsample_1isotropicsample_conditions_1
3D CBCA(CO)NHsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D HBHA(CO)NHsample_1isotropicsample_conditions_1
3D HCCH-TOCSYsample_1isotropicsample_conditions_1
3D HCCH-COSYsample_1isotropicsample_conditions_1
3D 1H-15N NOESYsample_1isotropicsample_conditions_1
3D 1H-13C NOESYsample_1isotropicsample_conditions_1
2D 1H-13C HSQCsample_1isotropicsample_conditions_1

Software:

CYANA vv2.1, Guntert, Mumenthaler and Wuthrich - structure solution

NMR spectrometers:

  • Varian INOVA 600 MHz

Related Database Links:

PDB
SP P0C5F2
AlphaFold P0C5F2

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