BMRB Entry 11596
Chem Shift validation: AVS_anomalous, AVS_full
BMRB Entry DOI: doi:10.13018/BMR11596
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NMR-STAR v3 text file.
XML gzip file.
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Citation: Mutoh, Risa; Muraki, Norifumi; Shinmura, Kanako; Kubota-Kawai, Hisako; Lee, Young-Ho; Nowaczyk, Marc; Rogner, Matthias; Hase, Toshiharu; Ikegami, Takahisa; Kurisu, Genji. "X-ray Structure and Nuclear Magnetic Resonance Analysis of the Interaction Sites of the Ga-substituted Cyanobacterial Ferredoxin" Biochemistry 54, 6052-6061 (2015).
PubMed: 26348494
Assembly members:
gallium_ferredoxin, polymer, 97 residues, Formula weight is not available
GALLIUM (III) ION, non-polymer, 69.723 Da.
Natural source: Common Name: E. coli Taxonomy ID: 562 Superkingdom: Bacteria Kingdom: not available Genus/species: Escherichia coli
Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pET28a
Entity Sequences (FASTA):
gallium_ferredoxin: ATYKVTLVRPDGSETTIDVP
EDEYILDVAEEQGLDLPFSC
RAGACSTCAGKLLEGEVDQS
DQSFLDDDQIEKGFVLTCVA
YPRSDCKILTNQEEELY
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 275 |
| 15N chemical shifts | 92 |
| 1H chemical shifts | 92 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | gallium ferredoxin | 1 |
| 2 | GALLIUM (III) ION | 2 |
Entities:
Entity 1, gallium ferredoxin 97 residues - Formula weight is not available
| 1 | ALA | THR | TYR | LYS | VAL | THR | LEU | VAL | ARG | PRO | ||||
| 2 | ASP | GLY | SER | GLU | THR | THR | ILE | ASP | VAL | PRO | ||||
| 3 | GLU | ASP | GLU | TYR | ILE | LEU | ASP | VAL | ALA | GLU | ||||
| 4 | GLU | GLN | GLY | LEU | ASP | LEU | PRO | PHE | SER | CYS | ||||
| 5 | ARG | ALA | GLY | ALA | CYS | SER | THR | CYS | ALA | GLY | ||||
| 6 | LYS | LEU | LEU | GLU | GLY | GLU | VAL | ASP | GLN | SER | ||||
| 7 | ASP | GLN | SER | PHE | LEU | ASP | ASP | ASP | GLN | ILE | ||||
| 8 | GLU | LYS | GLY | PHE | VAL | LEU | THR | CYS | VAL | ALA | ||||
| 9 | TYR | PRO | ARG | SER | ASP | CYS | LYS | ILE | LEU | THR | ||||
| 10 | ASN | GLN | GLU | GLU | GLU | LEU | TYR |
Entity 2, GALLIUM (III) ION - Ga - 69.723 Da.
| 1 | GA |
Samples:
sample_1: gallium ferredoxin, [U-13C; U-15N], 0.1 mM; sodium phosphate 20 mM; sodium chloride 50 mM; H2O 90%; D2O, [U-2H], 10%
sample_conditions_1: ionic strength: 50 mM; pH: 6.8; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 3D HNCO | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCA | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCACB | sample_1 | isotropic | sample_conditions_1 |
| 3D CBCA(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D HN(CO)CA | sample_1 | isotropic | sample_conditions_1 |
Software:
SPARKY, Goddard - chemical shift assignment
NMR spectrometers:
- Bruker Avance 600 MHz
- Bruker Avance 950 MHz
Download HSQC peak lists in one of the following formats:
CSV: Backbone
or all simulated peaks
SPARKY: Backbone
or all simulated peaks