BMRB Entry 34216
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR34216
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Title: PH domain from TgAPH PubMed: 29910186
Deposition date: 2017-12-13 Original release date: 2019-01-28
Authors: Darvill, N.; Liu, B.; Matthews, S.; Soldati-Favre, D.; Rouse, S.; Benjamin, S.; Blake, T.; Dubois, D.; Hammoudi, P.; Pino, P.
Citation: Darvill, N.; Dubois, D.; Rouse, S.; Hammoudi, P.; Blake, T.; Benjamin, S.; Liu, B.; Soldati-Favre, D.; Matthews, S.. "Structural Basis of Phosphatidic Acid Sensing by APH in Apicomplexan Parasites." Structure 26, 1059-1071 (2018).
Assembly members:
entity_1, polymer, 121 residues, 13759.891 Da.
Natural source: Common Name: Toxoplasma gondii Taxonomy ID: 508771 Superkingdom: Eukaryota Kingdom: not available Genus/species: Toxoplasma gondii
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
entity_1: SASDIRMKKVMQYRRALTKV
VKLKTHLFSETVKVTCSKDG
EEVQWFKGKSTAGAQDRKKP
SGGFPVDKITSVKSQADNTK
VLVITVNNPQPTTYNFTFKS
PGERESWQEQIQSLMKFMSM
K
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 538 |
| 15N chemical shifts | 126 |
| 1H chemical shifts | 846 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | entity_1 | 1 |
Entities:
Entity 1, entity_1 121 residues - 13759.891 Da.
| 1 | SER | ALA | SER | ASP | ILE | ARG | MET | LYS | LYS | VAL | ||||
| 2 | MET | GLN | TYR | ARG | ARG | ALA | LEU | THR | LYS | VAL | ||||
| 3 | VAL | LYS | LEU | LYS | THR | HIS | LEU | PHE | SER | GLU | ||||
| 4 | THR | VAL | LYS | VAL | THR | CYS | SER | LYS | ASP | GLY | ||||
| 5 | GLU | GLU | VAL | GLN | TRP | PHE | LYS | GLY | LYS | SER | ||||
| 6 | THR | ALA | GLY | ALA | GLN | ASP | ARG | LYS | LYS | PRO | ||||
| 7 | SER | GLY | GLY | PHE | PRO | VAL | ASP | LYS | ILE | THR | ||||
| 8 | SER | VAL | LYS | SER | GLN | ALA | ASP | ASN | THR | LYS | ||||
| 9 | VAL | LEU | VAL | ILE | THR | VAL | ASN | ASN | PRO | GLN | ||||
| 10 | PRO | THR | THR | TYR | ASN | PHE | THR | PHE | LYS | SER | ||||
| 11 | PRO | GLY | GLU | ARG | GLU | SER | TRP | GLN | GLU | GLN | ||||
| 12 | ILE | GLN | SER | LEU | MET | LYS | PHE | MET | SER | MET | ||||
| 13 | LYS |
Samples:
sample_1: C-terminal PH domain from TgAPH, [U-100% 15N]; [U-100% 13C], 730 uM; NaCl 150 mM
sample_conditions_1: ionic strength: 150 mM; pH: 7; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | 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 HNCO | sample_1 | isotropic | sample_conditions_1 |
| 3D HN(CO)CA | sample_1 | isotropic | sample_conditions_1 |
| 3D HBHA(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D C(CO)NH | 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-13C NOESY | sample_1 | isotropic | sample_conditions_1 |
Software:
CNS, Brunger A. T. et.al. - refinement
ARIA, Linge, O'Donoghue and Nilges - structure calculation
NMRView, Johnson, One Moon Scientific - chemical shift assignment, peak picking
NMR spectrometers:
- Bruker DRX 800 MHz
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts