BMRB Entry 18039
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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/BMR18039
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Title: Solution structure ensemble of the two N-terminal apple domains (residues 58-231) of Toxoplasma gondii microneme protein 4 PubMed: 22399295
Deposition date: 2011-11-01 Original release date: 2012-03-09
Authors: Marchant, J.; Cowper, B.; Liu, Y.; Lai, L.; Pinzan, C.; Marq, J.; Friedrich, N.; Sawmynaden, K.; Chai, W.; Childs, R.; Saouros, S.; Simpson, P.; Barreira, M.; Feizi, T.; Soldati-favre, D.; Matthews, Stephen
Citation: Marchant, Jan; Cowper, Ben; Liu, Yan; Lai, Livia; Pinzan, Camila; Marq, Jean Baptiste; Friedrich, Nikolas; Sawmynaden, Kovilen; Liew, Lloyd; Chai, Wengang; Childs, Robert; Saouros, Savvas; Simpson, Peter; Roque Barreira, Maria Cristina; Feizi, Ten; Soldati-Favre, Dominique; Matthews, Stephen. "Galactose recognition by the apicomplexan parasite Toxoplasma gondii." J. Biol. Chem. 287, 16720-16733 (2012).
Assembly members:
MICRONEMAL_PROTEIN_4, polymer, 161 residues, 17154.4701 Da.
Natural source: Common Name: Toxoplasma gondii Taxonomy ID: 5811 Superkingdom: Eukaryota Kingdom: not available Genus/species: Toxoplasma gondii
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
MICRONEMAL_PROTEIN_4: SSEPAKLDLSCVHSDNKGSR
APTIGEPVPDVSLEQCAAQC
KAVDGCTHFTYNDDSKMCHV
KEGKPDLYDLTGGKTASRSC
DRSCFEQHVSYEGAPDVMTA
MVTSQSADCQAACAADPSCE
IFTYNEHDQKCTFKGRGFSA
FKERGVLGVTSGPKQFCDEG
G
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 970 |
| 13C chemical shifts | 641 |
| 15N chemical shifts | 161 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | MICRONEMAL PROTEIN 4 | 1 |
Entities:
Entity 1, MICRONEMAL PROTEIN 4 161 residues - 17154.4701 Da.
| 1 | SER | SER | GLU | PRO | ALA | LYS | LEU | ASP | LEU | SER | ||||
| 2 | CYS | VAL | HIS | SER | ASP | ASN | LYS | GLY | SER | ARG | ||||
| 3 | ALA | PRO | THR | ILE | GLY | GLU | PRO | VAL | PRO | ASP | ||||
| 4 | VAL | SER | LEU | GLU | GLN | CYS | ALA | ALA | GLN | CYS | ||||
| 5 | LYS | ALA | VAL | ASP | GLY | CYS | THR | HIS | PHE | THR | ||||
| 6 | TYR | ASN | ASP | ASP | SER | LYS | MET | CYS | HIS | VAL | ||||
| 7 | LYS | GLU | GLY | LYS | PRO | ASP | LEU | TYR | ASP | LEU | ||||
| 8 | THR | GLY | GLY | LYS | THR | ALA | SER | ARG | SER | CYS | ||||
| 9 | ASP | ARG | SER | CYS | PHE | GLU | GLN | HIS | VAL | SER | ||||
| 10 | TYR | GLU | GLY | ALA | PRO | ASP | VAL | MET | THR | ALA | ||||
| 11 | MET | VAL | THR | SER | GLN | SER | ALA | ASP | CYS | GLN | ||||
| 12 | ALA | ALA | CYS | ALA | ALA | ASP | PRO | SER | CYS | GLU | ||||
| 13 | ILE | PHE | THR | TYR | ASN | GLU | HIS | ASP | GLN | LYS | ||||
| 14 | CYS | THR | PHE | LYS | GLY | ARG | GLY | PHE | SER | ALA | ||||
| 15 | PHE | LYS | GLU | ARG | GLY | VAL | LEU | GLY | VAL | THR | ||||
| 16 | SER | GLY | PRO | LYS | GLN | PHE | CYS | ASP | GLU | GLY | ||||
| 17 | GLY |
Samples:
sample_1: MICRONEMAL PROTEIN 4, [U-13C; U-15N], 0.3 mM
sample_2: MICRONEMAL PROTEIN 4, [U-13C; U-15N], 0.3 mM
sample_conditions_1: ionic strength: 100.000 mM; pH: 6.500; pressure: 1.000 atm; temperature: 303.000 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| CBCA(CO)NH | sample_1 | solution | sample_conditions_1 |
| HNCACB | sample_1 | solution | sample_conditions_1 |
| HNCO | sample_1 | solution | sample_conditions_1 |
| HN(CA)CO | sample_1 | solution | sample_conditions_1 |
| (H)CC(CO)NH-TOCSY | sample_1 | solution | sample_conditions_1 |
| H(C)CH-TOCSY | sample_1 | solution | sample_conditions_1 |
| (H)CCH-TOCSY | sample_1 | solution | sample_conditions_1 |
| C-NOESY-HSQC | sample_1 | solution | sample_conditions_1 |
| N-NOESY-HSQC | sample_1 | solution | sample_conditions_1 |
| C-NOESY-HSQC | sample_2 | solution | sample_conditions_1 |
Software:
ARIA vany, Linge, O, . - chemical shift assignment
CNS vany, BRUNGER,ADAMS,CLORE,DELANO,GROS,GROSSE-KUNSTLEVE,JIANG,KUSZEWSKI,NILGES,PANNU,READ,RICE,SIMONSON,WARREN - chemical shift assignment
NMRView vany, Johnson, One Moon Scientific - chemical shift assignment
TALOS vany, Cornilescu, Delaglio and Bax - data analysis
NMR spectrometers:
- Bruker DRX 500.20 MHz
- Varian UnityInova 800.23 MHz
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts