BMRB Entry 36071
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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/BMR36071
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Title: NMR solution structure of the aromatic mutant H43F H67F cytochrome b5 PubMed: 28738155
Deposition date: 2017-04-04 Original release date: 2018-02-12
Authors: Swati, B.; Siddhartha, P.
Citation: Balakrishnan, Swati; Sarma, Siddhartha. "Engineering Aromatic-Aromatic Interactions To Nucleate Folding in Intrinsically Disordered Regions of Proteins" Biochemistry 56, 4346-4359 (2017).
Assembly members:
Cytochrome b5, polymer, 98 residues, 11275.436 Da.
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 BL21(DE3)
Entity Sequences (FASTA):
Cytochrome b5: AEQSDKDVKYYTLEEIQKHK
DSKSTWVILHHKVYDLTKFL
EEFPGGEEVLREQAGGDATE
NFEDVGFSTDARELSKKYII
GELHPDDRSKIAKPSETL
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 302 |
| 15N chemical shifts | 84 |
| 1H chemical shifts | 497 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | entity_1 | 1 |
Entities:
Entity 1, entity_1 98 residues - 11275.436 Da.
| 1 | ALA | GLU | GLN | SER | ASP | LYS | ASP | VAL | LYS | TYR | ||||
| 2 | TYR | THR | LEU | GLU | GLU | ILE | GLN | LYS | HIS | LYS | ||||
| 3 | ASP | SER | LYS | SER | THR | TRP | VAL | ILE | LEU | HIS | ||||
| 4 | HIS | LYS | VAL | TYR | ASP | LEU | THR | LYS | PHE | LEU | ||||
| 5 | GLU | GLU | PHE | PRO | GLY | GLY | GLU | GLU | VAL | LEU | ||||
| 6 | ARG | GLU | GLN | ALA | GLY | GLY | ASP | ALA | THR | GLU | ||||
| 7 | ASN | PHE | GLU | ASP | VAL | GLY | PHE | SER | THR | ASP | ||||
| 8 | ALA | ARG | GLU | LEU | SER | LYS | LYS | TYR | ILE | ILE | ||||
| 9 | GLY | GLU | LEU | HIS | PRO | ASP | ASP | ARG | SER | LYS | ||||
| 10 | ILE | ALA | LYS | PRO | SER | GLU | THR | LEU |
Samples:
sample_1: FFcytb5, [U-99% 15N], 0.5 mM; H2O 90%; D2O, [U-2H], 10%; potassium phosphate 20 mM; sodium chloride 20 mM; Proline+Arginine+Glutamate 20 mM
sample_2: FFcytb5, [U-13C; U-15N], 0.5 mM; H2O 90%; D2O, [U-2H], 10%; potassium phosphate 20 mM; sodium chloride 20 mM; Proline+Arginine+Glutamate 20 mM
sample_3: FFcytb5, [U-13C; U-15N; U-2H], 0.5 mM; H2O 90%; D2O, [U-2H], 10%; potassium phosphate 20 mM; sodium chloride 20 mM; Proline+Arginine+Glutamate 20 mM
sample_conditions_1: ionic strength: 50 mM; pH: 7; pressure: 1 atm; temperature: 283 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCACB | sample_2 | isotropic | sample_conditions_1 |
| 3D CBCA(CO)NH | sample_2 | isotropic | sample_conditions_1 |
| 3D HNCA | sample_2 | isotropic | sample_conditions_1 |
| 3D HNCO | sample_2 | isotropic | sample_conditions_1 |
| 3D HN(CO)CA | sample_2 | isotropic | sample_conditions_1 |
| 3D 1H-15N NOESY | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-15N NOESY | sample_3 | isotropic | sample_conditions_1 |
| 2D 1H-1H NOESY | sample_1 | isotropic | sample_conditions_1 |
| 3D HCCH-TOCSY | sample_2 | isotropic | sample_conditions_1 |
Software:
Analysis, CCPN - chemical shift assignment, peak picking
CNS, Brunger A. T. et.al. - refinement
CYANA, Guntert, Mumenthaler and Wuthrich - structure calculation
NMR spectrometers:
- Bruker Avance 700 MHz
- Varian Uniform NMR System 600 MHz
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts