BMRB Entry 34490
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full
BMRB Entry DOI: doi:10.13018/BMR34490
MolProbity Validation Chart
NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
XML gzip file.
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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) Vector: pET28b
Entity Sequences (FASTA):
entity_1: NLTKQKEAVNDKGKAAVVKV
VESQAELYSLEKNEDASLRK
LQADGRITEEQAKAYKEYHD
KNGGANRKVND
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 306 |
| 15N chemical shifts | 81 |
| 1H chemical shifts | 476 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | entity_1 | 1 |
Entities:
Entity 1, entity_1 71 residues - 7948.803 Da.
| 1 | ASN | LEU | THR | LYS | GLN | LYS | GLU | ALA | VAL | ASN | ||||
| 2 | ASP | LYS | GLY | LYS | ALA | ALA | VAL | VAL | LYS | VAL | ||||
| 3 | VAL | GLU | SER | GLN | ALA | GLU | LEU | TYR | SER | LEU | ||||
| 4 | GLU | LYS | ASN | GLU | ASP | ALA | SER | LEU | ARG | LYS | ||||
| 5 | LEU | GLN | ALA | ASP | GLY | ARG | ILE | THR | GLU | GLU | ||||
| 6 | GLN | ALA | LYS | ALA | TYR | LYS | GLU | TYR | HIS | ASP | ||||
| 7 | LYS | ASN | GLY | GLY | ALA | ASN | ARG | LYS | VAL | ASN | ||||
| 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:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC aliphatic | sample_1 | isotropic | sample_conditions_1 |
| 3D CBCANH | sample_1 | isotropic | sample_conditions_1 |
| 3D CBCA(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCA | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCO | sample_1 | isotropic | sample_conditions_1 |
| 3D HN(CA)CO | sample_1 | isotropic | sample_conditions_1 |
| 3D HCCCONH | sample_1 | isotropic | sample_conditions_1 |
| 3D CCCONH | sample_1 | isotropic | sample_conditions_1 |
| 3D HCCH-TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 3D HBHA(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 2D IPAP HSQC | sample_2 | isotropic | sample_conditions_1 |
| 2D IPAP HSQC | sample_3 | anisotropic | sample_conditions_1 |
| 3D 15N NOESY | sample_1 | isotropic | sample_conditions_1 |
| 3D 13C NOESY | sample_1 | isotropic | sample_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 HSQC peak lists in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts