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 34393

Title: Bordetella pertussis adenylate cyclase toxin transmembrane segment 411-490 in DPC micelles   PubMed: 32333856

Deposition date: 2019-04-15 Original release date: 2020-05-08

Authors: Masin, J.; Bumba, L.; Veverka, V.

Citation: Sukova, Anna; Bumba, Ladislav; Srb, Pavel; Veverka, Vaclav; Stanek, Ondrej; Holubova, Jana; Chmelik, Josef; Fiser, Radovan; Sebo, Peter; Masin, Jiri. "Negative charge of the AC-to-Hly linking segment modulates calcium-dependent membrane activities of Bordetella adenylate cyclase toxin"  Biochim. Biophys. Acta Biomembr. 1862, 183310-183310 (2020).

Assembly members:
entity_1, polymer, 80 residues, 8226.117 Da.

Natural source:   Common Name: Bordetella pertussis   Taxonomy ID: 520   Superkingdom: Bacteria   Kingdom: not available   Genus/species: Bordetella pertussis

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

Entity Sequences (FASTA):
entity_1: GSRSFSLGEVSDMAAVEAAE LEMTRQVLHAGARQDDAEPG VSGASAHWGQRALQGAQAVA AAQRLVHAIALMTQFGRAGS

Data sets:
Data typeCount
13C chemical shifts303
15N chemical shifts83
1H chemical shifts499

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
  • Hide all

Assembly:

Entity Assembly IDEntity NameEntity ID
1unit_11

Entities:

Entity 1, unit_1 80 residues - 8226.117 Da.

1   GLYSERARGSERPHESERLEUGLYGLUVAL
2   SERASPMETALAALAVALGLUALAALAGLU
3   LEUGLUMETTHRARGGLNVALLEUHISALA
4   GLYALAARGGLNASPASPALAGLUPROGLY
5   VALSERGLYALASERALAHISTRPGLYGLN
6   ARGALALEUGLNGLYALAGLNALAVALALA
7   ALAALAGLNARGLEUVALHISALAILEALA
8   LEUMETTHRGLNPHEGLYARGALAGLYSER

Samples:

sample_1: Cya411-490, [U-13C; U-15N], 450 uM; sodium phosphate 25 mM; sodium chloride 100 mM; TCEP 1 mM; DPC, [U-2H], 100 mM

sample_conditions_1: ionic strength: 125 mM; pH: 7.5; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
3D HNCACBsample_1isotropicsample_conditions_1
3D CBCA(CO)NHsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D HCCH-TOCSYsample_1isotropicsample_conditions_1
3D 1H-13C NOESYsample_1isotropicsample_conditions_1
3D 1H-15N NOESYsample_1isotropicsample_conditions_1

Software:

YASARA, YASARA - refinement

CYANA, Guntert, Mumenthaler and Wuthrich - structure calculation

Sparky, Goddard - chemical shift assignment

TopSpin, Bruker Biospin - processing

NMR spectrometers:

  • Bruker AVANCE 850 MHz

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