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
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Title: Solution structure of ComGC from Streptococcus pneumoniae PubMed: 28659339
Deposition date: 2017-03-03 Original release date: 2017-06-30
Authors: Erlendsson, S.; Schmeider, P.; Lichtenberg, C.; Teilum, K.; Akbey, U.
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).
Assembly members:
entity_1, polymer, 69 residues, 7697.498 Da.
Natural source: Common Name: Streptococcus pneumoniae Taxonomy ID: 1313 Superkingdom: Bacteria Kingdom: not available Genus/species: Streptococcus pneumoniae
Experimental source: Production method: recombinant technology Host organism: Escherichia coli BL21(DE3) Vector: pet28a
Entity Sequences (FASTA):
entity_1: TKQKEAVNDKGKAAVVKVVE
SQAELYSLEKNEDASLRKLQ
ADGRITEEQAKAYKEYNDKN
GGANRKVND
- assigned_chemical_shifts
- spectral_peak_list
| Data type | Count |
| 13C chemical shifts | 236 |
| 15N chemical shifts | 61 |
| 1H chemical shifts | 342 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | entity_1 | 1 |
Entities:
Entity 1, entity_1 69 residues - 7697.498 Da.
| 1 | THR | LYS | GLN | LYS | GLU | ALA | VAL | ASN | ASP | LYS | ||||
| 2 | GLY | LYS | ALA | ALA | VAL | VAL | LYS | VAL | VAL | GLU | ||||
| 3 | SER | GLN | ALA | GLU | LEU | TYR | SER | LEU | GLU | LYS | ||||
| 4 | ASN | GLU | ASP | ALA | SER | LEU | ARG | LYS | LEU | GLN | ||||
| 5 | ALA | ASP | GLY | ARG | ILE | THR | GLU | GLU | GLN | ALA | ||||
| 6 | LYS | ALA | TYR | LYS | GLU | TYR | ASN | ASP | LYS | ASN | ||||
| 7 | GLY | GLY | ALA | ASN | ARG | LYS | VAL | ASN | ASP |
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:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC | sample_1 | isotropic | sample_conditions_1 |
| HSQC IPAP | sample_2 | anisotropic | sample_conditions_2 |
| CC_CO_NH | sample_1 | isotropic | sample_conditions_1 |
| HCC_CO_NH | sample_1 | isotropic | sample_conditions_1 |
| 3D CBCA(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCACB | sample_1 | isotropic | sample_conditions_1 |
| 3D HN(CO)CA | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCA | sample_1 | isotropic | sample_conditions_1 |
| 3D HN(CA)CO | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCO | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-15N NOESY | sample_1 | isotropic | sample_conditions_1 |
| 15N-TOCSY-HSQC | sample_1 | isotropic | sample_conditions_1 |
| 13C-TOCSY-HSQC | sample_1 | isotropic | sample_conditions_1 |
| 3D HCCH-TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-13C NOESY | sample_1 | isotropic | sample_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 shifts
SPARKY: Backbone
or all simulated shifts