BMRB Entry 50744
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR50744
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Title: Nanodisc reconstitution of flavin mononucleotide binding domain of cytochrome-p450-reductase enables high-resolution NMR probing PubMed: 33982687
Deposition date: 2021-02-01 Original release date: 2021-05-18
Authors: Krishnarjuna, Bankala; Ramamoorthy, Ayyalusamy
Citation: Krishnarjuna, Bankala; Ramamoorthy, Ayyalusamy. "Nanodisc reconstitution of flavin mononucleotide binding domain of cytochrome-P450-reductase enables high-resolution NMR probing" Chem. Commun. (Camb) 57, 4819-4822 (2021).
Assembly members:
entity_1, polymer, 239 residues, Formula weight is not available
Natural source: Common Name: Rat Taxonomy ID: 10116 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Rattus norvegicus
Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pSC
Entity Sequences (FASTA):
entity_1: MGDSHEDTSATMPEAVAEEV
SLFSTTDMVLFSLIVGVLTY
WFIFRKKKEEIPEFSKIQTT
APPVKESSFVEKMKKTGRNI
IVFYGSQTGTAEEFANRLSK
DAHRYGMRGMSADPEEYDLA
DLSSLPEIDKSLVVFCMATY
GEGDPTDNAQDFYDWLQETD
VDLTGVKFAVFGLGNKTYEH
FNAMGKYVDQRLEQLGAQRI
FELGLGDDDGNLEEDFITWR
EQFWPAVCEFFGVEATGEE
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 385 |
| 15N chemical shifts | 191 |
| 1H chemical shifts | 191 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | Protein-lipid-nanodisc | 1 |
Entities:
Entity 1, Protein-lipid-nanodisc 239 residues - Formula weight is not available
| 1 | MET | GLY | ASP | SER | HIS | GLU | ASP | THR | SER | ALA | ||||
| 2 | THR | MET | PRO | GLU | ALA | VAL | ALA | GLU | GLU | VAL | ||||
| 3 | SER | LEU | PHE | SER | THR | THR | ASP | MET | VAL | LEU | ||||
| 4 | PHE | SER | LEU | ILE | VAL | GLY | VAL | LEU | THR | TYR | ||||
| 5 | TRP | PHE | ILE | PHE | ARG | LYS | LYS | LYS | GLU | GLU | ||||
| 6 | ILE | PRO | GLU | PHE | SER | LYS | ILE | GLN | THR | THR | ||||
| 7 | ALA | PRO | PRO | VAL | LYS | GLU | SER | SER | PHE | VAL | ||||
| 8 | GLU | LYS | MET | LYS | LYS | THR | GLY | ARG | ASN | ILE | ||||
| 9 | ILE | VAL | PHE | TYR | GLY | SER | GLN | THR | GLY | THR | ||||
| 10 | ALA | GLU | GLU | PHE | ALA | ASN | ARG | LEU | SER | LYS | ||||
| 11 | ASP | ALA | HIS | ARG | TYR | GLY | MET | ARG | GLY | MET | ||||
| 12 | SER | ALA | ASP | PRO | GLU | GLU | TYR | ASP | LEU | ALA | ||||
| 13 | ASP | LEU | SER | SER | LEU | PRO | GLU | ILE | ASP | LYS | ||||
| 14 | SER | LEU | VAL | VAL | PHE | CYS | MET | ALA | THR | TYR | ||||
| 15 | GLY | GLU | GLY | ASP | PRO | THR | ASP | ASN | ALA | GLN | ||||
| 16 | ASP | PHE | TYR | ASP | TRP | LEU | GLN | GLU | THR | ASP | ||||
| 17 | VAL | ASP | LEU | THR | GLY | VAL | LYS | PHE | ALA | VAL | ||||
| 18 | PHE | GLY | LEU | GLY | ASN | LYS | THR | TYR | GLU | HIS | ||||
| 19 | PHE | ASN | ALA | MET | GLY | LYS | TYR | VAL | ASP | GLN | ||||
| 20 | ARG | LEU | GLU | GLN | LEU | GLY | ALA | GLN | ARG | ILE | ||||
| 21 | PHE | GLU | LEU | GLY | LEU | GLY | ASP | ASP | ASP | GLY | ||||
| 22 | ASN | LEU | GLU | GLU | ASP | PHE | ILE | THR | TRP | ARG | ||||
| 23 | GLU | GLN | PHE | TRP | PRO | ALA | VAL | CYS | GLU | PHE | ||||
| 24 | PHE | GLY | VAL | GLU | ALA | THR | GLY | GLU | GLU |
Samples:
sample_1: rat full-length FBD, [U-13C; U-15N], 0.3 mM
sample_conditions_1: pH: 7.4; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 1D 1H | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCA | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCACB | sample_1 | isotropic | sample_conditions_1 |
| 3D CBCA(CO)NH | sample_1 | isotropic | sample_conditions_1 |
Software:
TOPSPIN v4.0.6 - collection, processing
CcpNMR v2.4.2 - chemical shift assignment
NMR spectrometers:
- Bruker AVANCE III 600 MHz
- Bruker AVANCE III 900 MHz
Download HSQC peak lists in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts