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 34490

Title: Major subunit ComGC from S. pneumoniae Com pseudopili   PubMed: 32273343

Deposition date: 2020-02-12 Original release date: 2020-04-13

Authors: Sheppard, D.; Berry, J.; Matthews, S.; Pelicic, V.

Citation: Sheppard, D.; Berry, J.; Denise, R.; Rocha, E.; Matthews, S.; Pelicic, V.. "The major subunit of widespread competence pseudopili exhibits a novel and conserved type IV pilin fold"  J. Biol. Chem. 295, 6594-6604 (2020).

Assembly members:
entity_1, polymer, 71 residues, 7948.803 Da.

Natural source:   Common Name: Streptococcus pneumoniae R6   Taxonomy ID: 171101   Superkingdom: Bacteria   Kingdom: not available   Genus/species: Streptococcus pneumoniae

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli BL21(DE3)

Entity Sequences (FASTA):
entity_1: NLTKQKEAVNDKGKAAVVKV VESQAELYSLEKNEDASLRK LQADGRITEEQAKAYKEYHD KNGGANRKVND

Data sets:
Data typeCount
13C chemical shifts306
15N chemical shifts81
1H chemical shifts476

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1entity_11

Entities:

Entity 1, entity_1 71 residues - 7948.803 Da.

1   ASNLEUTHRLYSGLNLYSGLUALAVALASN
2   ASPLYSGLYLYSALAALAVALVALLYSVAL
3   VALGLUSERGLNALAGLULEUTYRSERLEU
4   GLULYSASNGLUASPALASERLEUARGLYS
5   LEUGLNALAASPGLYARGILETHRGLUGLU
6   GLNALALYSALATYRLYSGLUTYRHISASP
7   LYSASNGLYGLYALAASNARGLYSVALASN
8   ASP

Samples:

sample_1: ComGC, [U-100% 13C; U-100% 15N], 1.8 mM; Na2HPO4/NaH2PO4, natural anundance, 25 mM; NaCl, natural anundance, 50 mM; D2O, natural anundance, 5%

sample_2: ComGC, [U-100% 15N], 0.5 mM; Na2HPO4/NaH2PO4, natural anundance, 25 mM; NaCl, natural anundance, 50 mM; D2O, natural anundance, 5%

sample_3: ComGC, [U-100% 15N], 0.5 mM; Na2HPO4/NaH2PO4, natural anundance, 25 mM; NaCl, natural anundance, 50 mM; D2O, natural anundance, 5%; PEG/hexanol, natural anundance, 3.0%

sample_conditions_1: ionic strength: 50 mM; pH: 6.0; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
2D 1H-13C HSQC aliphaticsample_1isotropicsample_conditions_1
3D CBCANHsample_1isotropicsample_conditions_1
3D CBCA(CO)NHsample_1isotropicsample_conditions_1
3D HNCAsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D HN(CA)COsample_1isotropicsample_conditions_1
3D HCCCONHsample_1isotropicsample_conditions_1
3D CCCONHsample_1isotropicsample_conditions_1
3D HCCH-TOCSYsample_1isotropicsample_conditions_1
3D HBHA(CO)NHsample_1isotropicsample_conditions_1
2D IPAP HSQCsample_2isotropicsample_conditions_1
2D IPAP HSQCsample_3anisotropicsample_conditions_1
3D 15N NOESYsample_1isotropicsample_conditions_1
3D 13C NOESYsample_1isotropicsample_conditions_1

Software:

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

Sparky, Goddard - chemical shift assignment, peak picking

X-PLOR NIH, Schwieters, Kuszewski, Tjandra and Clore - refinement, structure calculation

NMR spectrometers:

  • Bruker AVANCE III 800 MHz

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