BMRB Entry 17091
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR17091
MolProbity Validation Chart
NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
XML gzip file.
RDF gzip file.
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Citation: Malgieri, Gaetano; Zaccaro, Laura; Leone, Marilisa; Bucci, Enrico; Esposito, Sabrina; Baglivo, Ilaria; Del Gatto, Annarita; Russo, Luigi; Scandurra, Roberto; Pedone, Paolo; Fattorusso, Roberto; Isernia, Carla. "Zinc to cadmium replacement in the A. thaliana SUPERMAN Cys-2 His-2 zinc finger induces structural rearrangements of typical DNA base determinant positions." Biopolymers 95, 801-810 (2011).
PubMed: 21618209
Assembly members:
SUPERMAN, polymer, 37 residues, 4469.228 Da.
CD, non-polymer, 112.411 Da.
Natural source: Common Name: Thale cress Taxonomy ID: 3702 Superkingdom: Eukaryota Kingdom: Viridiplantae Genus/species: Arabidopsis thaliana
Experimental source: Production method: chemical synthesis
Entity Sequences (FASTA):
SUPERMAN: WPPRSYTCSFCKREFRSAQA
LGGHMNVHRRDRARLRL
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 254 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | SUPERMAN | 1 |
| 2 | CADMIUM ION | 2 |
Entities:
Entity 1, SUPERMAN 37 residues - 4469.228 Da.
| 1 | TRP | PRO | PRO | ARG | SER | TYR | THR | CYS | SER | PHE | ||||
| 2 | CYS | LYS | ARG | GLU | PHE | ARG | SER | ALA | GLN | ALA | ||||
| 3 | LEU | GLY | GLY | HIS | MET | ASN | VAL | HIS | ARG | ARG | ||||
| 4 | ASP | ARG | ALA | ARG | LEU | ARG | LEU |
Entity 2, CADMIUM ION - Cd - 112.411 Da.
| 1 | CD |
Samples:
sample_1: SUPERMAN 1 mM; H2O 90%; D2O 10%
sample_2: SUPERMAN 1 mM; D2O 100%
sample_conditions_1: ionic strength: 0 M; pH: 6.8; pressure: 1 atm; temperature: 301 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-1H NOESY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 2D DQF-COSY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H NOESY | sample_2 | isotropic | sample_conditions_1 |
| 2D 1H-1H TOCSY | sample_2 | isotropic | sample_conditions_1 |
Software:
XEASY, Bartels et al. - chemical shift assignment
CYANA, Guntert, Mumenthaler and Wuthrich - structure solution
Molmol, Koradi, Billeter and Wuthrich - data analysis
VNMRJ, Varian - collection
GROMOS, van Gunsteren and Berendsen - minimizatin
NMR spectrometers:
- Varian INOVA 600 MHz