BMRB Entry 4066
Chem Shift validation: AVS_anomalous, AVS_full
BMRB Entry DOI: doi:10.13018/BMR4066
NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
XML gzip file.
RDF gzip file.
All files associated with the entry
Citation: Xia, Bin; Wilkens, Steven; Westler, William; Markley, John. "Amplification of One-Bond 1H/2H Isotope Efects on 15N Chemical Shifts in
Clostridium pasteurianum Rubredoxin by Fermi-Contact Effects through
Hydrogen Bonds" J. Am. Chem. Soc. 120, 4893-4894 (1998).
Assembly members:
rubredoxin, polymer, 54 residues, Formula weight is not available
FE, non-polymer, 55.845 Da.
Natural source: Common Name: Clostridium pasteurianum Taxonomy ID: 1501 Superkingdom: Bacteria Kingdom: Monera Genus/species: Clostridium pasteurianum
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
rubredoxin: MKKYTCTVCGYIYNPEDGDP
DNGVNPGTDFKDIPDDWVCP
LCGVGKDQFEEVEE
- assigned_chemical_shifts
| Data type | Count |
| 15N chemical shifts | 8 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | RdxIII | 1 |
| 2 | Fe(III) | 2 |
Entities:
Entity 1, RdxIII 54 residues - Formula weight is not available
| 1 | MET | LYS | LYS | TYR | THR | CYS | THR | VAL | CYS | GLY | ||||
| 2 | TYR | ILE | TYR | ASN | PRO | GLU | ASP | GLY | ASP | PRO | ||||
| 3 | ASP | ASN | GLY | VAL | ASN | PRO | GLY | THR | ASP | PHE | ||||
| 4 | LYS | ASP | ILE | PRO | ASP | ASP | TRP | VAL | CYS | PRO | ||||
| 5 | LEU | CYS | GLY | VAL | GLY | LYS | ASP | GLN | PHE | GLU | ||||
| 6 | GLU | VAL | GLU | GLU |
Entity 2, Fe(III) - Fe - 55.845 Da.
| 1 | FE |
Samples:
sample_one: rubredoxin, [U-15N], 5 mM; H2O 100%
sample_two: rubredoxin, [U-15N], 5 mM; D2O 100%
sample_conditions_one: pH: 6.0; temperature: 308 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| not available | not available | not available | sample_conditions_one |
Software:
No software information available
NMR spectrometers:
- Bruker DMX500 500 MHz