BMRB Entry 36469

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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/BMR36469
MolProbity Validation Chart

NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
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Title:
Antimicrobial peptide-LaIT2
Deposition date:
2022-01-09
Original release date:
2025-11-04
Authors:
Tamura, T.; Morita, M.; Ohki, O.
Citation:

Citation: Tamura, Maiki; Tatsushiro, Chiharu; Morita, Eugene; Ohki, Shinya. "Structural and functional studies of LaIT2, an antimicrobial and insecticidal peptide from Liocheles australasiae."  Toxicon. 214, 8-17 (2022).
PubMed: 35490851

Assembly members:

Assembly members:
Beta-KTx-like peptide LaIT2, polymer, 59 residues, 6650.886 Da.

Natural source:

Natural source:   Common Name: not available   Taxonomy ID: 431266   Superkingdom: not available   Kingdom: Metazoa   Genus/species: Liocheles australasiae

Experimental source:

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

Entity Sequences (FASTA):

Entity Sequences (FASTA):
Beta-KTx-like peptide LaIT2: AKKPFVQRVKNAASKAYNKL KGLAMQSQYGCPIISNMCED HCRRKKMEGQCDLLDCVCS

Data sets:
Data typeCount
13C chemical shifts109
15N chemical shifts57
1H chemical shifts389

Additional metadata:

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

Entity Assembly IDEntity NameEntity ID
1entity_11

Entities:

Entity 1, entity_1 59 residues - 6650.886 Da.

1   ALALYSLYSPROPHEVALGLNARGVALLYS
2   ASNALAALASERLYSALATYRASNLYSLEU
3   LYSGLYLEUALAMETGLNSERGLNTYRGLY
4   CYSPROILEILESERASNMETCYSGLUASP
5   HISCYSARGARGLYSLYSMETGLUGLYGLN
6   CYSASPLEULEUASPCYSVALCYSSER

Samples:

sample_1: LaIT2, [U-15N], 0.2 mM; potassium chloride 100 mM; H2O 95%; D2O, [U-2H], 5%

sample_2: LaIT2, [U-13C], 0.2 mM; potassium chloride 100 mM; H2O 95%; D2O, [U-2H], 5%

sample_3: LaIT2, [U-13C; U-15], 0.2 mM; potassium chloride 100 mM; H2O 95%; D2O, [U-2H], 5%

sample_conditions_1: ionic strength: 100 mM; pH: 6.0; pressure: 1.013 Pa; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_2isotropicsample_conditions_1
2D NOESYsample_2isotropicsample_conditions_1
3D CBCA(CO)NHsample_2isotropicsample_conditions_1
3D 1H-15N NOESYsample_2isotropicsample_conditions_1
3D 1H-13C NOESYsample_2isotropicsample_conditions_1
3D HNCAsample_2isotropicsample_conditions_1
3D 1H-15N TOCSYsample_2isotropicsample_conditions_1
3D HCCH-TOCSYsample_2isotropicsample_conditions_1
3D HNCACBsample_2isotropicsample_conditions_1
3D C(CO)NHsample_2isotropicsample_conditions_1

Software:

PONDEROSA, Woonghee Lee - refinement

MolProbity, Richardson - data analysis

Sparky, Goddard - peak picking

PROCHECK / PROCHECK-NMR, Laskowski, MacArthur, Smith, Jones, Hutchinson, Morris, Moss and Thornton - data analysis

CYANA, Guntert, Mumenthaler and Wuthrich - structure calculation

NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - data analysis

Sparky, Goddard - chemical shift assignment

NMR spectrometers:

  • Bruker AVANCE III 800 MHz

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