BMRB Entry 34325
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR34325
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Title: Solution NMR structure of PilE1 from Streptococcus sanguinis PubMed: 30837269
Deposition date: 2018-11-01 Original release date: 2019-03-04
Authors: Berry, J.; Xu, Y.
Citation: Berry, Jamie-Lee; Gurung, Ishwori; Anonsen, Jan Haug; Spielman, Ingrid; Harper, Elliot; Hall, Alexander; Goosens, Vivianne; Raynaud, Claire; Koomey, Michael; Biais, Nicolas; Matthews, Steve; Pelicic, Vladimir. "Global biochemical and structural analysis of the type IV pilus from the Gram-positive bacterium Streptococcus sanguinis" J. Biol. Chem. 294, 6796-6808 (2019).
Assembly members:
entity_1, polymer, 113 residues, 12084.061 Da.
Natural source: Common Name: Streptococcus sanguinis Taxonomy ID: 1305 Superkingdom: Bacteria Kingdom: not available Genus/species: Streptococcus sanguinis
Experimental source: Production method: recombinant technology Host organism: Escherichia coli DH1
Entity Sequences (FASTA):
entity_1: HQDNARKSRIQSEHRELVSA
IQSYIGAQDDPTNPSEITLA
KLAPYMSKNAKNEDGIVNSL
AKDKSGNSSTSAPGSAHQID
TTNHKLISTFTPSNGGQATV
LTYDWSANGVNSN
- assigned_chemical_shifts
- spectral_peak_list
| Data type | Count |
| 13C chemical shifts | 459 |
| 15N chemical shifts | 106 |
| 1H chemical shifts | 698 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | entity_1 | 1 |
Entities:
Entity 1, entity_1 113 residues - 12084.061 Da.
| 1 | HIS | GLN | ASP | ASN | ALA | ARG | LYS | SER | ARG | ILE | ||||
| 2 | GLN | SER | GLU | HIS | ARG | GLU | LEU | VAL | SER | ALA | ||||
| 3 | ILE | GLN | SER | TYR | ILE | GLY | ALA | GLN | ASP | ASP | ||||
| 4 | PRO | THR | ASN | PRO | SER | GLU | ILE | THR | LEU | ALA | ||||
| 5 | LYS | LEU | ALA | PRO | TYR | MET | SER | LYS | ASN | ALA | ||||
| 6 | LYS | ASN | GLU | ASP | GLY | ILE | VAL | ASN | SER | LEU | ||||
| 7 | ALA | LYS | ASP | LYS | SER | GLY | ASN | SER | SER | THR | ||||
| 8 | SER | ALA | PRO | GLY | SER | ALA | HIS | GLN | ILE | ASP | ||||
| 9 | THR | THR | ASN | HIS | LYS | LEU | ILE | SER | THR | PHE | ||||
| 10 | THR | PRO | SER | ASN | GLY | GLY | GLN | ALA | THR | VAL | ||||
| 11 | LEU | THR | TYR | ASP | TRP | SER | ALA | ASN | GLY | VAL | ||||
| 12 | ASN | SER | ASN |
Samples:
sample_1: PilE1, [U-13C; U-15N], 750 nM; Sodium Phosphate 750 mM; NaCl 750 mM
sample_conditions_1: ionic strength: 50 mM; pH: 6; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 3D HBHA(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCACB | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCO | sample_1 | isotropic | sample_conditions_1 |
| 3D HN(CO)CA | sample_1 | isotropic | sample_conditions_1 |
| 3D CBCA(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D HCCH-TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 3D H(CCO)NH | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-15N NOESY | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-13C NOESY | sample_1 | isotropic | sample_conditions_1 |
Software:
CNS, Brunger A. T. et.al. - refinement
ARIA, Linge, O'Donoghue, Nilges - structure calculation
NMRView, Johnson, One Moon Scientific - chemical shift assignment, peak picking
NMR spectrometers:
- Bruker Avance 800 MHz
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts