BMRB Entry 26919
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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/BMR26919
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Title: 1H, 15N and 13C resonance assignments and secondary structure of PulG, the major pseudopilin from Klebsiella oxytoca Type 2 Secretion System PubMed: 28258547
Deposition date: 2016-10-19 Original release date: 2017-04-26
Authors: Lopez-Castilla, Aracelys; Vitorge, Bruno; Khoury, Lea; Morellet, Nelly; Francetic, Olivera; Izadi-Pruneyre, Nadia
Citation: Lopez-Castilla, Aracelys; Vitorge, Bruno; Khoury, Lea; Morellet, Nelly; Francetic, Olivera; Izadi-Pruneyre, Nadia. "1H, 15N and 13C resonance assignments and secondary structure of PulG, the major pseudopilin from Klebsiella oxytoca type 2 secretion system" Biomol. NMR Assign. 11, 155-158 (2017).
Assembly members:
PulG, polymer, 116 residues, 12912.1838 Da.
Natural source: Common Name: Klebsiella pneumoniae Taxonomy ID: 571 Superkingdom: Bacteria Kingdom: not available Genus/species: Klebsiella oxytoca
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
PulG: MGNKEKADRQKVVSDLVALE
GALDMYKLDNSRYPTTEQGL
QALVSAPSAEPHARNYPEGG
YIRRLPQDPWGSDYQLLSPG
QHGQVDIFSLGPDGVPESND
DIGNWTIGFHHHHHHK
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 421 |
| 15N chemical shifts | 103 |
| 1H chemical shifts | 630 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | PulG | 1 |
Entities:
Entity 1, PulG 116 residues - 12912.1838 Da.
| 1 | MET | GLY | ASN | LYS | GLU | LYS | ALA | ASP | ARG | GLN | ||||
| 2 | LYS | VAL | VAL | SER | ASP | LEU | VAL | ALA | LEU | GLU | ||||
| 3 | GLY | ALA | LEU | ASP | MET | TYR | LYS | LEU | ASP | ASN | ||||
| 4 | SER | ARG | TYR | PRO | THR | THR | GLU | GLN | GLY | LEU | ||||
| 5 | GLN | ALA | LEU | VAL | SER | ALA | PRO | SER | ALA | GLU | ||||
| 6 | PRO | HIS | ALA | ARG | ASN | TYR | PRO | GLU | GLY | GLY | ||||
| 7 | TYR | ILE | ARG | ARG | LEU | PRO | GLN | ASP | PRO | TRP | ||||
| 8 | GLY | SER | ASP | TYR | GLN | LEU | LEU | SER | PRO | GLY | ||||
| 9 | GLN | HIS | GLY | GLN | VAL | ASP | ILE | PHE | SER | LEU | ||||
| 10 | GLY | PRO | ASP | GLY | VAL | PRO | GLU | SER | ASN | ASP | ||||
| 11 | ASP | ILE | GLY | ASN | TRP | THR | ILE | GLY | PHE | HIS | ||||
| 12 | HIS | HIS | HIS | HIS | HIS | LYS |
Samples:
sample_1: PulG, [U-99% 13C; U-99% 15N], 0.6 mM; HEPES 50 mM; sodium chloride 50 mM; D2O, [U-100% 2H], 10%; CaCl2 1.2 mM
sample_2: PulG, [U-99% 13C; U-99% 15N], 0.6 mM; HEPES 50 mM; sodium chloride 50 mM; D2O, [U-100% 2H], 10%; CaCl2 1.2 mM
sample_conditions_1: ionic strength: 0.100 M; pH: 7.000; pressure: 1.000 atm; temperature: 298.000 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 3D HNCACB | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-15N HSQC/HMQC | sample_1 | isotropic | sample_conditions_1 |
| 1046_cbcaconh (H[N[co[{CA|ca[C]}]]]) | sample_1 | isotropic | sample_conditions_1 |
| 1048_hncaco (H[N[ca[CO]]]) | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCO | sample_1 | isotropic | sample_conditions_1 |
| 1059_c_co_nh (H[N[co[{CA|ca[C]}]]]) | sample_1 | isotropic | sample_conditions_1 |
| 1061_hcconh (HccoNH) | sample_1 | isotropic | sample_conditions_1 |
| 3D HCCH-TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC/HMQC | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H TOCSY | sample_2 | isotropic | sample_conditions_1 |
| 3D HCCH-TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 1063_hbcbcgcdhd (hbCBcgcdHD) | sample_1 | isotropic | sample_conditions_1 |
| 1062_hbcbcgcdcehe (hbCBcgcdceHE) | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC/HMQC | sample_1 | isotropic | sample_conditions_1 |
Software:
CcpNmr_Analysis v2.4, CCPN - spectra analysis
NMRPipe vunknown, Delaglio F, Grzesiek S, Vuister GW, Zhu G, Pfeifer J, Bax A - Processing
TOPSPIN v3.1, Bruker Biospin - collection
NMR spectrometers:
- Varian UnityInova 600 MHz
- Bruker Avance 950 MHz
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts