BMRB Entry 34112

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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR34112
MolProbity Validation Chart

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Title:
Solution structure of ComGC from Streptococcus pneumoniae
Deposition date:
2017-03-03
Original release date:
2017-06-30
Authors:
Erlendsson, S.; Schmeider, P.; Lichtenberg, C.; Teilum, K.; Akbey, U.
Citation:

Citation: Muschiol, Sandra; Erlendsson, Simon; Aschtgen, Marie-Stephanie; Oliveira, Vitor; Schmieder, Peter; de Lichtenberg, Casper; Teilum, Kaare; Boesen, Thomas; Akbey, Umit; Henriques-Normark, Birgitta. "Structure of the competence pilus major pilin ComGC in Streptococcus pneumoniae."  J. Biol. Chem. 292, 14134-14146 (2017).
PubMed: 28659339

Assembly members:

Assembly members:
entity_1, polymer, 69 residues, 7697.498 Da.

Natural source:

Natural source:   Common Name: Streptococcus pneumoniae   Taxonomy ID: 1313   Superkingdom: Bacteria   Kingdom: not available   Genus/species: Streptococcus pneumoniae

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli BL21(DE3)   Vector: pet28a

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: TKQKEAVNDKGKAAVVKVVE SQAELYSLEKNEDASLRKLQ ADGRITEEQAKAYKEYNDKN GGANRKVND

Data sets:
Data typeCount
13C chemical shifts236
15N chemical shifts61
1H chemical shifts342

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 69 residues - 7697.498 Da.

1   THRLYSGLNLYSGLUALAVALASNASPLYS
2   GLYLYSALAALAVALVALLYSVALVALGLU
3   SERGLNALAGLULEUTYRSERLEUGLULYS
4   ASNGLUASPALASERLEUARGLYSLEUGLN
5   ALAASPGLYARGILETHRGLUGLUGLNALA
6   LYSALATYRLYSGLUTYRASNASPLYSASN
7   GLYGLYALAASNARGLYSVALASNASP

Samples:

sample_1: ComGC, [U-13C; U-15N], 900 uM; DSS 0.25 mM; NaCl 50 mM; Tris 50 mM

sample_2: ComGC, [U-13C; U-15N], 500 uM; DSS 0.25 mM; Hexanol/PEG 4%; NaCl 50 mM; Tris 50 mM

sample_conditions_1: ionic strength: 50 mM; pH: 7.5; pressure: 1 Pa; temperature: 283 K

sample_conditions_2: ionic strength: 50 mM; pH: 7.5; pressure: 1 Pa; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
2D 1H-13C HSQCsample_1isotropicsample_conditions_1
HSQC IPAPsample_2anisotropicsample_conditions_2
CC_CO_NHsample_1isotropicsample_conditions_1
HCC_CO_NHsample_1isotropicsample_conditions_1
3D CBCA(CO)NHsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D HN(CO)CAsample_1isotropicsample_conditions_1
3D HNCAsample_1isotropicsample_conditions_1
3D HN(CA)COsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D 1H-15N NOESYsample_1isotropicsample_conditions_1
15N-TOCSY-HSQCsample_1isotropicsample_conditions_1
13C-TOCSY-HSQCsample_1isotropicsample_conditions_1
3D HCCH-TOCSYsample_1isotropicsample_conditions_1
3D 1H-13C NOESYsample_1isotropicsample_conditions_1

Software:

CNS, Brunger A. T. et.al. - refinement

NMR spectrometers:

  • Bruker AVIII 600 MHz
  • Varian DD2 800 MHz

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