BMRB Entry 28041
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR28041
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Title: Backbone and CB Chemical Shift Assignments of Vibrio cholerae RfaH PubMed: 36255050
Deposition date: 2019-11-12 Original release date: 2023-01-09
Authors: Zuber, Philipp; Schweimer, Kristian; Knauer, Stefan
Citation: Zuber, Philipp; Daviter, Tina; Heissmann, Ramona; Persau, Ulrike; Schweimer, Kristian; Knauer, Stefan. "Structural and thermodynamic analyses of the beta-to-alpha transformation in RfaH reveal principles of fold-switching proteins" Elife 11, e76630-e76630 (2022).
Assembly members:
VcRfaH, polymer, 165 residues, Formula weight is not available
Natural source: Common Name: not available Taxonomy ID: 666 Superkingdom: Bacteria Kingdom: not available Genus/species: Vibrio cholerae
Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pTYB1
Entity Sequences (FASTA):
VcRfaH: MKRWYLLYCKRGEQQRAKMH
LENQSVECFYPEVCVEKILR
GKRQMVQEPLFPSYMFVRFD
FENGPSFTTVRSTRGVVDFV
RLGPHPRELQGDLIYQLKQL
DCEQLKHATKQLPEKGQTVR
VARGQFAGIEAIYLEPDGDT
RSIMLVKMISQQVPMSIENT
DWEVA
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 479 |
| 15N chemical shifts | 151 |
| 1H chemical shifts | 151 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | VcRfaH monomer | 1 |
Entities:
Entity 1, VcRfaH monomer 165 residues - Formula weight is not available
Residue 165 changed from T (WT sequence) to A to enable cleavage of Intein-CBD tag
| 1 | MET | LYS | ARG | TRP | TYR | LEU | LEU | TYR | CYS | LYS | ||||
| 2 | ARG | GLY | GLU | GLN | GLN | ARG | ALA | LYS | MET | HIS | ||||
| 3 | LEU | GLU | ASN | GLN | SER | VAL | GLU | CYS | PHE | TYR | ||||
| 4 | PRO | GLU | VAL | CYS | VAL | GLU | LYS | ILE | LEU | ARG | ||||
| 5 | GLY | LYS | ARG | GLN | MET | VAL | GLN | GLU | PRO | LEU | ||||
| 6 | PHE | PRO | SER | TYR | MET | PHE | VAL | ARG | PHE | ASP | ||||
| 7 | PHE | GLU | ASN | GLY | PRO | SER | PHE | THR | THR | VAL | ||||
| 8 | ARG | SER | THR | ARG | GLY | VAL | VAL | ASP | PHE | VAL | ||||
| 9 | ARG | LEU | GLY | PRO | HIS | PRO | ARG | GLU | LEU | GLN | ||||
| 10 | GLY | ASP | LEU | ILE | TYR | GLN | LEU | LYS | GLN | LEU | ||||
| 11 | ASP | CYS | GLU | GLN | LEU | LYS | HIS | ALA | THR | LYS | ||||
| 12 | GLN | LEU | PRO | GLU | LYS | GLY | GLN | THR | VAL | ARG | ||||
| 13 | VAL | ALA | ARG | GLY | GLN | PHE | ALA | GLY | ILE | GLU | ||||
| 14 | ALA | ILE | TYR | LEU | GLU | PRO | ASP | GLY | ASP | THR | ||||
| 15 | ARG | SER | ILE | MET | LEU | VAL | LYS | MET | ILE | SER | ||||
| 16 | GLN | GLN | VAL | PRO | MET | SER | ILE | GLU | ASN | THR | ||||
| 17 | ASP | TRP | GLU | VAL | ALA |
Samples:
sample_1: VcRfaH, [U-99% 13C; U-99% 15N; U-80% 2H], 0.3 mM; bis-tris propane 25 mM; di sodium tartrate 25 mM; sodium chloride 50 mM
sample_conditions_1: ionic strength: 0.125 M; pH: 6.5; pressure: 1 atm; temperature: 293 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N BEST-TROSY | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCA | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCO | sample_1 | isotropic | sample_conditions_1 |
| 3D HCACO | 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 HN(CO)CACB | sample_1 | isotropic | sample_conditions_1 |
Software:
TOPSPIN vv3.5 pl5, Bruker Biospin - collection
NMRViewJ vv9.2.0-b2, Johnson, One Moon Scientific - chemical shift assignment, data analysis, peak picking
NMR spectrometers:
- Bruker Avance 700 MHz
Download HSQC peak lists in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts