BMRB Entry 5091
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full
BMRB Entry DOI: doi:10.13018/BMR5091
MolProbity Validation Chart
NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
XML gzip file.
RDF gzip file.
All files associated with the entry
Citation: Shahzad, N.; Dangi, B.; Blankman, J.; Guiles, R.. "Mutagenic modulation of the entropy change on oxidation of cytochrome B5: an
analysis of the contribution of conformational entropy " .
Assembly members:
CYTOCHROME B5, polymer, 94 residues, Formula weight is not available
HEM, non-polymer, 616.487 Da.
Natural source: Common Name: Norway rat Taxonomy ID: 10116 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Rattus norvegicus
Experimental source: Production method: recombinant technology
Entity Sequences (FASTA):
CYTOCHROME B5: DKDVKYYTLEEIQKHKDSKS
TWVILHHKVYDLTKFLEEHP
GGEEVLREQAGGDATENFED
VGHSTDVRELSKTYIIGELH
PDDRSKIAKPSETL
- assigned_chemical_shifts
- coupling_constants
| Data type | Count |
| 1H chemical shifts | 496 |
| coupling constants | 66 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | CYTOCHROME B5 | 1 |
| 2 | HEM | 2 |
Entities:
Entity 1, CYTOCHROME B5 94 residues - Formula weight is not available
| 1 | ASP | LYS | ASP | VAL | LYS | TYR | TYR | THR | LEU | GLU | ||||
| 2 | GLU | ILE | GLN | LYS | HIS | LYS | ASP | SER | LYS | SER | ||||
| 3 | THR | TRP | VAL | ILE | LEU | HIS | HIS | LYS | VAL | TYR | ||||
| 4 | ASP | LEU | THR | LYS | PHE | LEU | GLU | GLU | HIS | PRO | ||||
| 5 | GLY | GLY | GLU | GLU | VAL | LEU | ARG | GLU | GLN | ALA | ||||
| 6 | GLY | GLY | ASP | ALA | THR | GLU | ASN | PHE | GLU | ASP | ||||
| 7 | VAL | GLY | HIS | SER | THR | ASP | VAL | ARG | GLU | LEU | ||||
| 8 | SER | LYS | THR | TYR | ILE | ILE | GLY | GLU | LEU | HIS | ||||
| 9 | PRO | ASP | ASP | ARG | SER | LYS | ILE | ALA | LYS | PRO | ||||
| 10 | SER | GLU | THR | LEU |
Entity 2, HEM - C34 H32 Fe N4 O4 - 616.487 Da.
| 1 | HEM |
Samples:
sample_1: CYTOCHROME B5 2 mM; phosphate buffer 1 mM; sodium dithionate mM; TSP 0.05 mM; H2O 90%; D2O 10%
sample_cond_1: pH: 7.0; temperature: 313 K; ionic strength: 1 mM
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D NOESY | sample_1 | not available | sample_cond_1 |
| HNHA | sample_1 | not available | sample_cond_1 |
| 3D 15N-separated NOESY | sample_1 | not available | sample_cond_1 |
Software:
DYANA v1.5 - refinement
XWINNMR v2.1 - collection
FELIX v97 - data analysis
NMRPipe v1.8 - processing
NMR spectrometers:
- Bruker DMX 600 MHz