BMRB Entry 5597
Chem Shift validation: AVS_anomalous, AVS_full, SPARTA
BMRB Entry DOI: doi:10.13018/BMR5597
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Title: Structure and dynamics of reduced Bacillus pasteurii cytochrome c: oxidation state dependent properties and implications for electron transfer processes PubMed: 12534286
Deposition date: 2002-11-25 Original release date: 2003-02-21
Authors: Bartalesi, Ilaria; Bertini, Ivano; Rosato, Antonio
Citation: Bartalesi, Ilaria; Bertini, Ivano; Rosato, Antonio. "Structure and Dynamics of Reduced Bacillus pasteurii Cytochrome c: Oxidation State Dependent Properties and Implications for Electron Transfer Processes" Biochemistry 42, 739-745 (2003).
Assembly members:
cytochrome c, polymer, 71 residues, Formula weight is not available
HEM, non-polymer, 616.487 Da.
Natural source: Common Name: B. pasteurii Taxonomy ID: 1474 Superkingdom: Eubacteria Kingdom: not available Genus/species: Bacillus pasteurii
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
cytochrome c: VDAEAVVQQKCISCHGGDLT
GASAPAIDKAGANYSEEEIL
DIILNGQGGMPGGIAKGAEA
EAVAAWLAEKK
| Data type | Count |
| 1H chemical shifts | 461 |
| 13C chemical shifts | 1 |
| 15N chemical shifts | 75 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | cytochrome C | 1 |
| 2 | heme cofactor | 2 |
Entities:
Entity 1, cytochrome C 71 residues - Formula weight is not available
| 1 | VAL | ASP | ALA | GLU | ALA | VAL | VAL | GLN | GLN | LYS | ||||
| 2 | CYS | ILE | SER | CYS | HIS | GLY | GLY | ASP | LEU | THR | ||||
| 3 | GLY | ALA | SER | ALA | PRO | ALA | ILE | ASP | LYS | ALA | ||||
| 4 | GLY | ALA | ASN | TYR | SER | GLU | GLU | GLU | ILE | LEU | ||||
| 5 | ASP | ILE | ILE | LEU | ASN | GLY | GLN | GLY | GLY | MET | ||||
| 6 | PRO | GLY | GLY | ILE | ALA | LYS | GLY | ALA | GLU | ALA | ||||
| 7 | GLU | ALA | VAL | ALA | ALA | TRP | LEU | ALA | GLU | LYS | ||||
| 8 | LYS |
Entity 2, heme cofactor - C34 H32 Fe N4 O4 - 616.487 Da.
| 1 | HEM |
Samples:
sample1: cytochrome c 1 mM; phosphate buffer 100 mM
sample2: cytochrome c, [U-90% 15N], 1 mM; phosphate buffer 100 mM
condition1: pH: 7.0; temperature: 296 K; ionic strength: 100 mM
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 1H-15N NOESY | not available | not available | condition1 |
| 1H-15N TOCSY | not available | not available | condition1 |
| 1H-1H NOESY | not available | not available | condition1 |
| 1H-1H TOCSY | not available | not available | condition1 |
| HNHA | not available | not available | condition1 |
| HNHB | not available | not available | condition1 |
| N15 HSQC | not available | not available | condition1 |
Software:
No software information available
NMR spectrometers:
- Bruker AVANCE 800 MHz
- Bruker AVANCE 500 MHz
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts