BMRB Entry 4231
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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/BMR4231
MolProbity Validation Chart
NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
XML gzip file.
RDF gzip file.
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Citation: Aono, S.; Bentrop, D.; Bertini, I.; Cosenza, G.; Luchinat, C.. "Solution structure of the first artficial Fe8S8 ferredoxin: the D13C variant of
Bacillus schlegelii Fe7S8 ferredoxin" Eur. J. Biochem. 258, 502-514 (1998).
PubMed: 9874217
Assembly members:
ferredoxin, polymer, 77 residues, Formula weight is not available
IRON/SULFUR CLUSTER, non-polymer, 351.640 Da.
Natural source: Common Name: Bacillus schlegelii Taxonomy ID: 1484 Superkingdom: Bacteria Kingdom: not available Genus/species: Bacillus schlegelii
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
ferredoxin: AYVITEPCIGTKCASCVEVC
PVDCIHEGEDQYYIDPDVCI
DCGACEAVCPVSAIYHEDFV
PEEWKSYIQKNRDFFKK
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 653 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | ferredoxin | 1 |
| 2 | IRON/SULFUR CLUSTER I | 2 |
| 3 | IRON/SULFUR CLUSTER II | 2 |
Entities:
Entity 1, ferredoxin 77 residues - Formula weight is not available
| 1 | ALA | TYR | VAL | ILE | THR | GLU | PRO | CYS | ILE | GLY | ||||
| 2 | THR | LYS | CYS | ALA | SER | CYS | VAL | GLU | VAL | CYS | ||||
| 3 | PRO | VAL | ASP | CYS | ILE | HIS | GLU | GLY | GLU | ASP | ||||
| 4 | GLN | TYR | TYR | ILE | ASP | PRO | ASP | VAL | CYS | ILE | ||||
| 5 | ASP | CYS | GLY | ALA | CYS | GLU | ALA | VAL | CYS | PRO | ||||
| 6 | VAL | SER | ALA | ILE | TYR | HIS | GLU | ASP | PHE | VAL | ||||
| 7 | PRO | GLU | GLU | TRP | LYS | SER | TYR | ILE | GLN | LYS | ||||
| 8 | ASN | ARG | ASP | PHE | PHE | LYS | LYS |
Entity 2, IRON/SULFUR CLUSTER I - Fe4 S4 - 351.640 Da.
| 1 | SF4 |
Samples:
sample_1: ferredoxin mM
sample_cond_1: ionic strength: 20 mM; pH: 6.5; pressure: 1 atm; temperature: 300 K
sample_cond_2: ionic strength: 20 mM; pH: 6.5; pressure: 1 atm; temperature: 282 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| NOESY | sample_1 | not available | not available |
| COSY | sample_1 | not available | not available |
| TOCSY | sample_1 | not available | not available |
| 1D-NOE | sample_1 | not available | not available |
Software:
No software information available
NMR spectrometers:
- Bruker Avance 500 MHz
- Bruker Avance 600 MHz
- Bruker Avance 800 MHz