BMRB Entry 19928
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR19928
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Title: Chemical shift assignments BamA-P4P5 PubMed: 26027731
Deposition date: 2014-04-22 Original release date: 2016-01-11
Authors: Houben, Klaartje; Sinnige, Tessa; Pritisanac, Iva; Daniels, Mark; Boelens, Rolf; Baldus, Marc
Citation: Sinnige, Tessa; Weingarth, Markus; Daniels, Mark; Boelens, Rolf; Bonvin, Alexandre; Houben, Klaartje; Baldus, Marc. "Conformational Plasticity of the POTRA 5 Domain in the Outer Membrane Protein Assembly Factor BamA" Structure 23, 1317-1324 (2015).
Assembly members:
BamA-P4P5, polymer, 167 residues, 18800 Da.
Natural source: Common Name: E. Coli Taxonomy ID: 562 Superkingdom: Bacteria Kingdom: not available Genus/species: Escherichia coli
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
BamA-P4P5: GSLTEGDQYKLSGVEVSGNL
AGHSAEIEQLTKIEPGELYN
GTKVTKMEDDIKKLLGRYGY
AYPRVQSMPEINDADKTVKL
RVNVDAGNRFYVRKIRFEGN
DTSKDAVLRREMRQMEGAWL
GSDLVDQGKERLNRLGFFET
VDTDTQRVPGSPDQVDVVYK
VKERNTG
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 654 |
| 15N chemical shifts | 175 |
| 1H chemical shifts | 983 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | P4P5 | 1 |
Entities:
Entity 1, P4P5 167 residues - 18800 Da.
residues 258-260 (GSL) are residues left after cleaving of the HIS6-tag with thrombin
| 1 | GLY | SER | LEU | THR | GLU | GLY | ASP | GLN | TYR | LYS | ||||
| 2 | LEU | SER | GLY | VAL | GLU | VAL | SER | GLY | ASN | LEU | ||||
| 3 | ALA | GLY | HIS | SER | ALA | GLU | ILE | GLU | GLN | LEU | ||||
| 4 | THR | LYS | ILE | GLU | PRO | GLY | GLU | LEU | TYR | ASN | ||||
| 5 | GLY | THR | LYS | VAL | THR | LYS | MET | GLU | ASP | ASP | ||||
| 6 | ILE | LYS | LYS | LEU | LEU | GLY | ARG | TYR | GLY | TYR | ||||
| 7 | ALA | TYR | PRO | ARG | VAL | GLN | SER | MET | PRO | GLU | ||||
| 8 | ILE | ASN | ASP | ALA | ASP | LYS | THR | VAL | LYS | LEU | ||||
| 9 | ARG | VAL | ASN | VAL | ASP | ALA | GLY | ASN | ARG | PHE | ||||
| 10 | TYR | VAL | ARG | LYS | ILE | ARG | PHE | GLU | GLY | ASN | ||||
| 11 | ASP | THR | SER | LYS | ASP | ALA | VAL | LEU | ARG | ARG | ||||
| 12 | GLU | MET | ARG | GLN | MET | GLU | GLY | ALA | TRP | LEU | ||||
| 13 | GLY | SER | ASP | LEU | VAL | ASP | GLN | GLY | LYS | GLU | ||||
| 14 | ARG | LEU | ASN | ARG | LEU | GLY | PHE | PHE | GLU | THR | ||||
| 15 | VAL | ASP | THR | ASP | THR | GLN | ARG | VAL | PRO | GLY | ||||
| 16 | SER | PRO | ASP | GLN | VAL | ASP | VAL | VAL | TYR | LYS | ||||
| 17 | VAL | LYS | GLU | ARG | ASN | THR | GLY |
Samples:
sample_1: BamA-P4P5, [U-100% 13C; U-100% 15N], 0.5 mM; sodium phosphate 50 mM; sodium chloride 100 mM; H2O 93%; D2O 7%
sample_conditions_1: ionic strength: 150 mM; pH: 6.25; 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 | sample_1 | isotropic | sample_conditions_1 |
| 3D CBCA(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCO | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCA | sample_1 | isotropic | sample_conditions_1 |
| 3D HBHA(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D HN(CO)CA | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCACB | sample_1 | isotropic | sample_conditions_1 |
| 3D HCCH-TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-15N NOESY | sample_1 | isotropic | sample_conditions_1 |
| 2D HccneHE | sample_1 | isotropic | sample_conditions_1 |
| 2D hCcneHE | sample_1 | isotropic | sample_conditions_1 |
Software:
SPARKY, Goddard - chemical shift assignment
NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
NMR spectrometers:
- Bruker Avance 600 MHz
- Bruker Avance 600 MHz
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts