BMRB Entry 30491
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR30491
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Title: NMR solution structure of the CARD9 CARD bound to zinc PubMed: 30206119
Deposition date: 2018-07-10 Original release date: 2018-09-10
Authors: Holliday, M.; Dueber, E.; Fairbrother, W.
Citation: Holliday, Michael; Ferrao, Ryan; de Leon Boenig, Gladys; Estevez, Alberto; Helgason, Elizabeth; Rohou, Alexis; Dueber, Erin; Fairbrother, Wayne. "Picomolar zinc binding modulates formation of Bcl10-nucleating assemblies of the caspase recruitment domain (CARD) of CARD9." J. Biol. Chem. 293, 16803-16817 (2018).
Assembly members:
entity_1, polymer, 97 residues, 11264.877 Da.
entity_ZN, non-polymer, 65.409 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 BL21(DE3)
Entity Sequences (FASTA):
entity_1: MSDYENDDECWSVLEGFRVT
LTSVIDPSRITPYLRQCKVL
NPDDEEQVLSDPNLVIRKRK
VGVLLDILQRTGHKGYVAFL
ESLELYYPQLYKKVTGK
- assigned_chemical_shifts
- spectral_peak_list
| Data type | Count |
| 13C chemical shifts | 355 |
| 15N chemical shifts | 95 |
| 1H chemical shifts | 711 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | entity_1 | 1 |
| 2 | entity_2 | 2 |
Entities:
Entity 1, entity_1 97 residues - 11264.877 Da.
| 1 | MET | SER | ASP | TYR | GLU | ASN | ASP | ASP | GLU | CYS | ||||
| 2 | TRP | SER | VAL | LEU | GLU | GLY | PHE | ARG | VAL | THR | ||||
| 3 | LEU | THR | SER | VAL | ILE | ASP | PRO | SER | ARG | ILE | ||||
| 4 | THR | PRO | TYR | LEU | ARG | GLN | CYS | LYS | VAL | LEU | ||||
| 5 | ASN | PRO | ASP | ASP | GLU | GLU | GLN | VAL | LEU | SER | ||||
| 6 | ASP | PRO | ASN | LEU | VAL | ILE | ARG | LYS | ARG | LYS | ||||
| 7 | VAL | GLY | VAL | LEU | LEU | ASP | ILE | LEU | GLN | ARG | ||||
| 8 | THR | GLY | HIS | LYS | GLY | TYR | VAL | ALA | PHE | LEU | ||||
| 9 | GLU | SER | LEU | GLU | LEU | TYR | TYR | PRO | GLN | LEU | ||||
| 10 | TYR | LYS | LYS | VAL | THR | GLY | LYS |
Entity 2, entity_2 - Zn - 65.409 Da.
| 1 | ZN |
Samples:
sample_1: CARD9 CARD, [U-13C; U-15N], 0.40 mM; zinc, none, 0.46 mM
sample_2: CARD9 CARD, [U-10% 13C; U-100% 15N], 0.40 mM; zinc, none, 0.46 mM
sample_3: CARD9 CARD, [U-13C; U-15N], 0.40 mM; zinc, none, 0.46 mM
sample_conditions_1: ionic strength: 350 mM; pH: 7.0; pressure: 1 atm; temperature: 310 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC | sample_1 | isotropic | sample_conditions_1 |
| 3D CBCA(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCA | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC | sample_2 | isotropic | sample_conditions_1 |
| 3D H(CCO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-13C NOESY aromatic | sample_3 | isotropic | sample_conditions_1 |
| 3D 1H-13C NOESY aliphatic | sample_3 | isotropic | sample_conditions_1 |
| 3D 1H-13C NOESY aliphatic | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-15N NOESY | sample_1 | isotropic | sample_conditions_1 |
| 3D HCCH-TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCACB | sample_1 | isotropic | sample_conditions_1 |
Software:
CNS v1.2, Brunger A. T. et.al. - refinement
CYANA v3.97, Guntert, Mumenthaler and Wuthrich - refinement, structure calculation
Analysis v2.4.2, CCPN - chemical shift assignment, peak picking
NMR spectrometers:
- Bruker AvanceIII 800 MHz
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts