BMRB Entry 6634
Chem Shift validation: AVS_anomalous, AVS_full
BMRB Entry DOI: doi:10.13018/BMR6634
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Citation: Messias, Ana; Aguiar, Antonio; Brennan, Lorraine; Salgueiro, Carlos; Saraiva, Ligia; Xavier, Antonio; Turner, David. "Solution structures of tetrahaem ferricytochrome c(3) from Desulfovibrio
vulgaris (Hildenborough) and its K45Q mutant: The molecular basis of
cooperativity" Biochim. Biophys. Acta. 1757, 143-153 (2006).
PubMed: 16527248
Assembly members:
K45Q cytochrome c3, polymer, 107 residues, Formula weight is not available
HEC, non-polymer, 618.503 Da.
Natural source: Common Name: Desulfovibrio vulgaris Hildenborough Taxonomy ID: 881 Superkingdom: Eubacteria Kingdom: not available Genus/species: Desulfovibrio vulgaris
Experimental source: Production method: recombinant technology Host organism: Desulfovibrio desulfuricans Vector: pJRD215
Entity Sequences (FASTA):
K45Q cytochrome c3: APKAPADGLKMEATKQPVVF
NHSTHKSVKCGDCHHPVNGK
EDYRQCGTAGCHDSMDKKDK
SAKGYYHVMHDKNTKFKSCV
GCHVEVAGADAAKKKDLTGC
KKSKCHE
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 659 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | K45Q cytochrome c3 | 1 |
| 2 | heme, I | 2 |
| 3 | heme, II | 2 |
| 4 | heme, III | 2 |
| 5 | heme, IV | 2 |
Entities:
Entity 1, K45Q cytochrome c3 107 residues - Formula weight is not available
| 1 | ALA | PRO | LYS | ALA | PRO | ALA | ASP | GLY | LEU | LYS | ||||
| 2 | MET | GLU | ALA | THR | LYS | GLN | PRO | VAL | VAL | PHE | ||||
| 3 | ASN | HIS | SER | THR | HIS | LYS | SER | VAL | LYS | CYS | ||||
| 4 | GLY | ASP | CYS | HIS | HIS | PRO | VAL | ASN | GLY | LYS | ||||
| 5 | GLU | ASP | TYR | ARG | GLN | CYS | GLY | THR | ALA | GLY | ||||
| 6 | CYS | HIS | ASP | SER | MET | ASP | LYS | LYS | ASP | LYS | ||||
| 7 | SER | ALA | LYS | GLY | TYR | TYR | HIS | VAL | MET | HIS | ||||
| 8 | ASP | LYS | ASN | THR | LYS | PHE | LYS | SER | CYS | VAL | ||||
| 9 | GLY | CYS | HIS | VAL | GLU | VAL | ALA | GLY | ALA | ASP | ||||
| 10 | ALA | ALA | LYS | LYS | LYS | ASP | LEU | THR | GLY | CYS | ||||
| 11 | LYS | LYS | SER | LYS | CYS | HIS | GLU |
Entity 2, heme, I - C34 H34 Fe N4 O4 - 618.503 Da.
| 1 | HEC |
Samples:
sample_1: K45Q cytochrome c3 0.85 mM; ampicillin 127 uM; kanamicin 78 uM; chloramphenicol 141 uM; H2O 92%; D2O 8%
conditions_1: pH*: 7.1; temperature: 303 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D-1H-NOESY | sample_1 | not available | conditions_1 |
| 2D-1H-TOCSY | sample_1 | not available | conditions_1 |
| 2D-1H-COSY | sample_1 | not available | conditions_1 |
Software:
XEASY v1.2 -
NMR spectrometers:
- BRUKER DRX 500 MHz