BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
Member of WWPDB

BMRB Entry 27754

Title: The cytoplasm-entry domain of antibacterial CdiA is a dynamic alpha-helical bundle with disulfide-dependent structural features   PubMed: 31181288

Deposition date: 2019-01-16 Original release date: 2019-01-18

Authors: Bartelli, Nicholas; Sun, Sheng; Gucinski, Grant; Zhou, Hongjun; Song, Kiho; Hayes, Christopher; Dahlquist, Frederick

Citation: Bartelli, Nicholas; Sun, Sheng; Gucinski, Grant; Zhou, Hongjun; Song, Kiho; Hayes, Christopher; Dahlquist, Frederick. "The Cytoplasm-Entry Domain of Antibacterial CdiA Is a Dynamic alpha-Helical Bundle with Disulfide-Dependent Structural Features"  J. Mol. Biol. 431, .-3203 (3216).

Assembly members:
CdiA-CT_C21S_C27S, polymer, 150 residues, 15911 Da.

Natural source:   Common Name: E. coli   Taxonomy ID: 562   Superkingdom: Bacteria   Kingdom: not available   Genus/species: Escherichia coli

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

Entity Sequences (FASTA):
CdiA-CT_C21S_C27S: VENNFLTADQIDSFAAKAKG SEVRGDSKQIVKEMEELSLK QQQEMIAVCATNPAACKEKF GDIPAKGMLVREAIDRVLGT DVPSAMKNDMSSLLAQQIEA EGVVTSTEFASQLQNRYGID KQQAEILAVAALGAVTGGMG KSGTSTVTKN

Data sets:
Data typeCount
13C chemical shifts424
15N chemical shifts138
1H chemical shifts822

Additional metadata:

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

Entity Assembly IDEntity NameEntity ID
1CdiA-CT C21S C27S1

Entities:

Entity 1, CdiA-CT C21S C27S 150 residues - 15911 Da.

1   VALGLUASNASNPHELEUTHRALAASPGLN
2   ILEASPSERPHEALAALALYSALALYSGLY
3   SERGLUVALARGGLYASPSERLYSGLNILE
4   VALLYSGLUMETGLUGLULEUSERLEULYS
5   GLNGLNGLNGLUMETILEALAVALCYSALA
6   THRASNPROALAALACYSLYSGLULYSPHE
7   GLYASPILEPROALALYSGLYMETLEUVAL
8   ARGGLUALAILEASPARGVALLEUGLYTHR
9   ASPVALPROSERALAMETLYSASNASPMET
10   SERSERLEULEUALAGLNGLNILEGLUALA
11   GLUGLYVALVALTHRSERTHRGLUPHEALA
12   SERGLNLEUGLNASNARGTYRGLYILEASP
13   LYSGLNGLNALAGLUILELEUALAVALALA
14   ALALEUGLYALAVALTHRGLYGLYMETGLY
15   LYSSERGLYTHRSERTHRVALTHRLYSASN

Samples:

sample_1: CdiA-CT C21S C27S, [U-99% 13C; U-99% 15N], 1.2 mM; sodium phosphate 50 mM; sodium azide 3 mM

sample_conditions_1: ionic strength: 0.1 M; pH: 6.5; pressure: 1 atm; temperature: 273 K

Experiments:

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

Software:

ANSIG, Kraulis - chemical shift assignment

NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing

NMR spectrometers:

  • Varian INOVA 600 MHz

Related Database Links:

NCBI WP_001383049.1

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