BMRB Entry 19732
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS, SPARTA
BMRB Entry DOI: doi:10.13018/BMR19732
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Title: The solution NMR structure of the NLRC5 caspase recruitment domain (CARD)
Deposition date: 2014-01-12 Original release date: 2014-05-13
Authors: Gutte, Petrus; Zerbe, Oliver
Citation: Gutte, Petrus; Jurt, Simon; Gruetter, Markus; Zerbe, Oliver. "The solution NMR structure of the NLRC5 caspase recruitment domain (CARD) reveals unusual structural features" Biochemistry 53, 3106-3117.
Assembly members:
entity, polymer, 101 residues, 11669.501 Da.
Natural source: Common Name: house mouse Taxonomy ID: 10090 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Mus musculus
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
entity: GPLGSMDAESIRLNNENLWA
WLVRLLSKNPEWLSAKLRSF
LPTMDLDCSYEPSNPEVIHR
QLNRLFAQGMATWKSFINDL
CFELDVPLDMEIPLVSIWGP
R
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 429 |
| 15N chemical shifts | 99 |
| 1H chemical shifts | 674 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | NLRC5_CARD | 1 |
Entities:
Entity 1, NLRC5_CARD 101 residues - 11669.501 Da.
| 1 | GLY | PRO | LEU | GLY | SER | MET | ASP | ALA | GLU | SER | ||||
| 2 | ILE | ARG | LEU | ASN | ASN | GLU | ASN | LEU | TRP | ALA | ||||
| 3 | TRP | LEU | VAL | ARG | LEU | LEU | SER | LYS | ASN | PRO | ||||
| 4 | GLU | TRP | LEU | SER | ALA | LYS | LEU | ARG | SER | PHE | ||||
| 5 | LEU | PRO | THR | MET | ASP | LEU | ASP | CYS | SER | TYR | ||||
| 6 | GLU | PRO | SER | ASN | PRO | GLU | VAL | ILE | HIS | ARG | ||||
| 7 | GLN | LEU | ASN | ARG | LEU | PHE | ALA | GLN | GLY | MET | ||||
| 8 | ALA | THR | TRP | LYS | SER | PHE | ILE | ASN | ASP | LEU | ||||
| 9 | CYS | PHE | GLU | LEU | ASP | VAL | PRO | LEU | ASP | MET | ||||
| 10 | GLU | ILE | PRO | LEU | VAL | SER | ILE | TRP | GLY | PRO | ||||
| 11 | ARG |
Samples:
sample_1: NLRC5_CARD, [U-100% 13C; U-100% 15N], 600 uM; MES 20 mM; sodium chloride 100 mM; potassium chloride 50 mM; TCEP 2 mM; H2O 95%; D2O, [U-100% 2H], 5%
sample_conditions_1: ionic strength: 0 M; pH: 6.2; 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 aliphatic | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC aromatic | sample_1 | isotropic | sample_conditions_1 |
| 3D CBCA(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCACB | sample_1 | isotropic | sample_conditions_1 |
| 3D HCCH-TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-13C NOESY aliphatic | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-13C NOESY aromatic | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCO | sample_1 | isotropic | sample_conditions_1 |
| HB(CBCGCD)HD | sample_1 | isotropic | sample_conditions_1 |
Software:
TOPSPIN v2.1, Bruker Biospin - processing
CARA v1.8.6, Keller and Wuthrich - data analysis
UNIO v10, Torsten Herrmann - peak picking, structure solution
CYANA v2.1, Guntert, Mumenthaler and Wuthrich - structure solution
CHARMM, B. R. Brooks, C. L. Brooks III, D. M. York, and M. Karplus - refinement
NMR spectrometers:
- Bruker Avance 600 MHz
- Bruker Avance 700 MHz
Related Database Links:
| UNP | C3VPR6 |
| PDB | |
| GB | ACP40992 |
| REF | NP_001028379 XP_006531225 XP_006531226 XP_006531227 XP_006531228 |
| SP | C3VPR6 |
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts