BMRB Entry 4602
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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/BMR4602
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: Banci, L.; Bertini, I.; Rosato, A.; Scacchieri, S.. "Solution structure of oxidized microsomal rabbit cytochrome b5. Factors
determining the heterogeneous binding of the heme" Eur. J. Biochem. 267, 755-766 (2000).
PubMed: 10651812
Assembly members:
CYTOCHROME B5, polymer, 94 residues, Formula weight is not available
HEM, non-polymer, 616.487 Da.
Natural source: Common Name: European Rabbit Taxonomy ID: 9986 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Oryctolagus cuniculus
Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pKK223
Entity Sequences (FASTA):
CYTOCHROME B5: DKDVKYYTLEEIKKHNHSKS
TWLILHHKVYDLTKFLEEHP
GGEEVLREQAGGDATENFED
VGHSTDARELSKTFIIGELH
PDDRSKLSKPMETL
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 538 |
| 15N chemical shifts | 70 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | CYTOCHROME B5 | 1 |
| 2 | heme | 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 | LYS | LYS | HIS | ASN | HIS | SER | LYS | SER | ||||
| 3 | THR | TRP | LEU | 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 | ALA | ARG | GLU | LEU | ||||
| 8 | SER | LYS | THR | PHE | ILE | ILE | GLY | GLU | LEU | HIS | ||||
| 9 | PRO | ASP | ASP | ARG | SER | LYS | LEU | SER | LYS | PRO | ||||
| 10 | MET | GLU | THR | LEU |
Entity 2, heme - C34 H32 Fe N4 O4 - 616.487 Da.
| 1 | HEM |
Samples:
sample_1: CYTOCHROME B5, [U-15N], 2 – 3 mM; phosphate buffer 1 mM
sample_cond_1: pH: 7; temperature: 298 K; pressure: 1 atm
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D NOESY | sample_1 | not available | sample_cond_1 |
| 3D 15N-SEPARATED_NOESY | sample_1 | not available | sample_cond_1 |
| 2D TOCSY | sample_1 | not available | sample_cond_1 |
| 3D 15N-SEPARATED_TOCSY | sample_1 | not available | sample_cond_1 |
Software:
DYANA v1.5 MODIFIED FOR USING PSEUDOCONTACT SHIFTS AS CONSTRAINTS - STRUCTURE SOLUTION
AMBER v4.0 - REFINEMENT
NMR spectrometers:
- Bruker Avance 800 MHz
Related Database Links:
| BMRB | 18919 295 |
| PDB | |
| DBJ | BAA01712 |
| GB | AAB03878 AAB32285 |
| PRF | 1205244A 1908210A |
| REF | NP_001164734 NP_001164735 |
| SP | P00169 |
| AlphaFold | P00169 |
Download HSQC peak lists in one of the following formats:
CSV: Backbone
or all simulated peaks
SPARKY: Backbone
or all simulated peaks