BMRB Entry 11583
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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/BMR11583
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Title: Solution structure of rat P2X4 receptor head domain
Deposition date: 2014-11-12 Original release date: 2015-01-27
Authors: Abe, Yoshito; Igawa, Tatsuhiro; Tsuda, Makoto; Inoue, Kazuhide; Ueda, Tadashi
Citation: Igawa, Tatsuhiro; Abe, Yoshito; Tsuda, Makoto; Inoue, Kazuhide; Ueda, Tadashi. "Solution structure of rat P2X4 receptor head domain involved in inhibitory metal binding." FEBS Lett. ., .-..
Assembly members:
P2XHD, polymer, 58 residues, 6066.745 Da.
Natural source: Common Name: Rat Taxonomy ID: 10116 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Rattus norvegicus
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
P2XHD: MQTQSTCPEIPDKTSICNSD
ADCTPGSVDTHSSGVATGRC
VPFNESVKTCEVAAWCPV
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 353 |
| 13C chemical shifts | 227 |
| 15N chemical shifts | 56 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | P2XHD monomer | 1 |
Entities:
Entity 1, P2XHD monomer 58 residues - 6066.745 Da.
| 1 | MET | GLN | THR | GLN | SER | THR | CYS | PRO | GLU | ILE | ||||
| 2 | PRO | ASP | LYS | THR | SER | ILE | CYS | ASN | SER | ASP | ||||
| 3 | ALA | ASP | CYS | THR | PRO | GLY | SER | VAL | ASP | THR | ||||
| 4 | HIS | SER | SER | GLY | VAL | ALA | THR | GLY | ARG | CYS | ||||
| 5 | VAL | PRO | PHE | ASN | GLU | SER | VAL | LYS | THR | CYS | ||||
| 6 | GLU | VAL | ALA | ALA | TRP | CYS | PRO | VAL |
Samples:
sample_1: entity, [U-99% 13C; U-99% 15N], 0.5 ± 0.2 mM; Urea 50 mM; sodium acetate 10 mM; H2O 90%; D2O, [U-100% 2H], 10%
sample_conditions_1: temperature: 297 K; pH: 5.0; pressure: 1 atm; ionic strength: 0 mM
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 C(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCO | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCA | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCACB | sample_1 | isotropic | sample_conditions_1 |
| 3D HN(CO)CA | sample_1 | isotropic | sample_conditions_1 |
| 3D H(CCO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-15N NOESY | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-15N TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 3D HCCH-TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 3D HCCH-COSY | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-13C NOESY | sample_1 | isotropic | sample_conditions_1 |
Software:
CYANA v2.1, Guntert P. - structure solution
TALOS, Cornilescu, Delaglio and Bax - data analysis
Olivia, Hokkaido University - chemical shift assignment
NMR spectrometers:
- Varian INOVA 600 MHz
Related Database Links:
| PDB | |
| EMBL | CAA61037 CAA62607 CAA63778 |
| GB | AAA99777 AAH78792 EDM13668 EDM13669 EDM13670 |
| PRF | 2124312A |
| REF | NP_113782 |
| SP | P51577 |
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts