BMRB Entry 4471
Chem Shift validation: AVS_anomalous, AVS_full
BMRB Entry DOI: doi:10.13018/BMR4471
NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
XML gzip file.
RDF gzip file.
All files associated with the entry
Title: Complete 1H, 15N and 13C assignment of the functional domain of Paracoccus denitrificans cytochrome c552 in the reduced state
Deposition date: 1999-12-03 Original release date: 2001-07-25
Authors: Pristovsek, Primoz; Luecke, Christian; Reincke, Britta; Loehr, Frank; Ludwig, Bernd; Rueterjans, Heinz
Citation: Pristovsek, Primoz; Luecke, Christian; Reincke, Britta; Loehr, Frank; Ludwig, Bernd; Rueterjans, Heinz. "Letter to the Editor: Complete 1H, 15N and 13C Assignment of the Functional Domain of Paracoccus denitrificans Cytochrome c552 in the Reduced state" J. Biomol. NMR 16, 353-354 (2000).
Assembly members:
Paracoccus denitrificans cytochrome c552, soluble fragment, polymer, 100 residues, 10528 Da.
HEM, non-polymer, 616.487 Da.
Natural source: Common Name: not available Taxonomy ID: 266 Superkingdom: Eubacteria Kingdom: not available Genus/species: Paracoccus denitrificans
Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pET-22b(+)
Entity Sequences (FASTA):
Paracoccus denitrificans cytochrome c552, soluble fragment: MADPAAGEKVFGKCKACHKL
DGNDGVGPHLNGVVGRTVAG
VDGFNYSDPMKAHGGDWTPE
ALQEFLTNPKAVVKGTKMAF
AGLPKIEDRANLIAYLEGQQ
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 703 |
| 13C chemical shifts | 448 |
| 15N chemical shifts | 106 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | cyt c552 | 1 |
| 2 | heme c | 2 |
Entities:
Entity 1, cyt c552 100 residues - 10528 Da.
| 1 | MET | ALA | ASP | PRO | ALA | ALA | GLY | GLU | LYS | VAL | |
| 2 | PHE | GLY | LYS | CYS | LYS | ALA | CYS | HIS | LYS | LEU | |
| 3 | ASP | GLY | ASN | ASP | GLY | VAL | GLY | PRO | HIS | LEU | |
| 4 | ASN | GLY | VAL | VAL | GLY | ARG | THR | VAL | ALA | GLY | |
| 5 | VAL | ASP | GLY | PHE | ASN | TYR | SER | ASP | PRO | MET | |
| 6 | LYS | ALA | HIS | GLY | GLY | ASP | TRP | THR | PRO | GLU | |
| 7 | ALA | LEU | GLN | GLU | PHE | LEU | THR | ASN | PRO | LYS | |
| 8 | ALA | VAL | VAL | LYS | GLY | THR | LYS | MET | ALA | PHE | |
| 9 | ALA | GLY | LEU | PRO | LYS | ILE | GLU | ASP | ARG | ALA | |
| 10 | ASN | LEU | ILE | ALA | TYR | LEU | GLU | GLY | GLN | GLN |
Entity 2, heme c - C34 H32 Fe N4 O4 - 616.487 Da.
| 1 | HEM |
Samples:
sample_1: Paracoccus denitrificans cytochrome c552, soluble fragment1.5 – 4 mM; potassium phosphate 20 mM; D2O 10%
sample_2: Paracoccus denitrificans cytochrome c552, soluble fragment, [U-96% 15N], 1.5 – 4 mM; potassium phosphate 20 mM; D2O 10%
sample_3: Paracoccus denitrificans cytochrome c552, soluble fragment, [U-97% 13C; U-96% 15N], 1.5 – 4 mM; potassium phosphate 20 mM; D2O 10%
cond_set_1: pH: 5.5; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 1H-1H TOCSY | not available | not available | cond_set_1 |
| 1H-1H NOESY | not available | not available | cond_set_1 |
| 1H-15N HSQC | not available | not available | cond_set_1 |
| 1H-15N HTQC | not available | not available | cond_set_1 |
| 1H-15N TOCSY-HSQC | not available | not available | cond_set_1 |
| 1H-15N NOESY-HSQC | not available | not available | cond_set_1 |
| HNCACB | not available | not available | cond_set_1 |
| CC(CO)NH-TOCSY | not available | not available | cond_set_1 |
| (HCA)CO(CA)NH | not available | not available | cond_set_1 |
| 1H-13C HSQC | not available | not available | cond_set_1 |
| 1H-13C NOESY-HSQC | not available | not available | cond_set_1 |
Software:
XWIN-NMR v1.3 - data collection and processing
AURELIA v2.5.9 - data analysis
FELIX v97 - data analysis
NMR spectrometers:
- Bruker DMX 500 MHz
- Bruker DMX 600 MHz
Download HSQC peak lists in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts