Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR51439
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Citation: Grifagni, Deborah; Silva, Jose; Cantini, Francesca; Piccioli, Mario; Banci, Lucia. "Relaxation-based NMR assignment: Spotlights on ligand binding sites in human CISD3" J. Inorg. Biochem. 239, 112089-112089 (2022).
PubMed: 36502664
Assembly members:
entity_1, polymer, 93 residues, 10360.14 Da.
entity_FES, non-polymer, 175.820 Da.
Natural source: Common Name: Human Taxonomy ID: 9606 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Homo sapiens
Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: PET28a(+)
Entity Sequences (FASTA):
entity_1: MGARSVVALKTPIKVELVAG
KTYRWCVCGRSKKQPFCDGS
HFFQRTGLSPLKFKAQETRM
VALCTCKATQRPPYCDGTHR
SERVQKAEVGSPL
Data type | Count |
13C chemical shifts | 166 |
15N chemical shifts | 60 |
1H chemical shifts | 59 |
Entity Assembly ID | Entity Name | Entity ID |
---|---|---|
1 | CISD3 | 1 |
2 | Fe2-S2, 1 | 2 |
3 | Fe2-S2, 2 | 2 |
Entity 1, CISD3 93 residues - 10360.14 Da.
Construct of CISD3
1 | MET | GLY | ALA | ARG | SER | VAL | VAL | ALA | LEU | LYS | ||||
2 | THR | PRO | ILE | LYS | VAL | GLU | LEU | VAL | ALA | GLY | ||||
3 | LYS | THR | TYR | ARG | TRP | CYS | VAL | CYS | GLY | ARG | ||||
4 | SER | LYS | LYS | GLN | PRO | PHE | CYS | ASP | GLY | SER | ||||
5 | HIS | PHE | PHE | GLN | ARG | THR | GLY | LEU | SER | PRO | ||||
6 | LEU | LYS | PHE | LYS | ALA | GLN | GLU | THR | ARG | MET | ||||
7 | VAL | ALA | LEU | CYS | THR | CYS | LYS | ALA | THR | GLN | ||||
8 | ARG | PRO | PRO | TYR | CYS | ASP | GLY | THR | HIS | ARG | ||||
9 | SER | GLU | ARG | VAL | GLN | LYS | ALA | GLU | VAL | GLY | ||||
10 | SER | PRO | LEU |
Entity 2, Fe2-S2, 1 - Fe2 S2 - 175.820 Da.
1 | FES |
sample_1: CISD3, [U-99% 13C; U-99% 15N], 0.5 mM; sodium phosphate 50 mM
sample_conditions_1: ionic strength: 100 mM; pH: 7.0; pressure: 1 atm; temperature: 298 K
Name | Sample | Sample state | Sample conditions |
---|---|---|---|
3D HNCA | sample_1 | isotropic | sample_conditions_1 |
3D HNCO | sample_1 | isotropic | sample_conditions_1 |
3D HNCACO | sample_1 | isotropic | sample_conditions_1 |
3D CBCACONH | sample_1 | isotropic | sample_conditions_1 |
2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
2D 1H-13C HSQC ANTIPHASE | sample_1 | isotropic | sample_conditions_1 |
2D 1H-15N HSQC ANTIPHASE INVERSION RECOVERY | sample_1 | isotropic | sample_conditions_1 |
2D 13C-detected CACO | sample_1 | isotropic | sample_conditions_1 |
2D 13C-detected CON | sample_1 | isotropic | sample_conditions_1 |
2D 13C-detected CON PARAMAGNETIC | sample_1 | isotropic | sample_conditions_1 |
CARA v1.9 - chemical shift assignment
TOPSPIN v3.6 - collection
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