BMRB Entry 31060
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR31060
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NMR-STAR v3 text file.
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Title: Structure of N-terminal of Schistosoma japonicum asparaginyl-tRNA synthetase PubMed: 37572327
Deposition date: 2022-11-25 Original release date: 2023-08-29
Authors: Peck, Y.; Daly, N.; Mobli, M.
Citation: Peck, Yoshimi; Pickering, Darren; Mobli, Mehdi; Liddell, Michael; Wilson, David; Ruscher, Roland; Ryan, Stephanie; Buitrago, Geraldine; McHugh, Connor; Love, Nicholas; Pinlac, Theresa; Haertlein, Michael; Kron, Michael; Loukas, Alex; Daly, Norelle. "Solution structure of the N-terminal extension domain of a Schistosoma japonicum asparaginyl-tRNA synthetase" J. Biomol. Struct. Dyn. ., 1-11 (2023).
Assembly members:
entity_1, polymer, 120 residues, 13576.252 Da.
Natural source: Common Name: Schistosoma japonicum Taxonomy ID: 6182 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Schistosoma japonicum
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
entity_1: MQIYTSEKRGSDTAGNGTEE
APLKTVLQAIVKLDGKIEAD
TRIWVDGTGDEMWDVVSKSK
LKKATKQYHIQTKKQEKAPH
EKIVSYENGDNVNLSEAINV
QLTLDTKLPEAKELHHHHHH
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 421 |
| 15N chemical shifts | 120 |
| 1H chemical shifts | 632 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | unit_1 | 1 |
Entities:
Entity 1, unit_1 120 residues - 13576.252 Da.
| 1 | MET | GLN | ILE | TYR | THR | SER | GLU | LYS | ARG | GLY | |
| 2 | SER | ASP | THR | ALA | GLY | ASN | GLY | THR | GLU | GLU | |
| 3 | ALA | PRO | LEU | LYS | THR | VAL | LEU | GLN | ALA | ILE | |
| 4 | VAL | LYS | LEU | ASP | GLY | LYS | ILE | GLU | ALA | ASP | |
| 5 | THR | ARG | ILE | TRP | VAL | ASP | GLY | THR | GLY | ASP | |
| 6 | GLU | MET | TRP | ASP | VAL | VAL | SER | LYS | SER | LYS | |
| 7 | LEU | LYS | LYS | ALA | THR | LYS | GLN | TYR | HIS | ILE | |
| 8 | GLN | THR | LYS | LYS | GLN | GLU | LYS | ALA | PRO | HIS | |
| 9 | GLU | LYS | ILE | VAL | SER | TYR | GLU | ASN | GLY | ASP | |
| 10 | ASN | VAL | ASN | LEU | SER | GLU | ALA | ILE | ASN | VAL | |
| 11 | GLN | LEU | THR | LEU | ASP | THR | LYS | LEU | PRO | GLU | |
| 12 | ALA | LYS | GLU | LEU | HIS | HIS | HIS | HIS | HIS | HIS |
Samples:
sample_1: N-terminal tRNA synthetase, [U-100% 13C; U-100% 15N], 0.1 mM
sample_conditions_1: pH: 7.1; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 3D 1H-13C NOESY aliphatic | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-13C NOESY aromatic | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-15N NOESY | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCACB | sample_1 | isotropic | sample_conditions_1 |
| 3D CBCA(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCO | sample_1 | isotropic | sample_conditions_1 |
| 3D HBHA(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D H(CCO)NH | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
Software:
TopSpin, Bruker Biospin - collection
CcpNmr Analysis, CCPN - chemical shift assignment
CYANA, Guntert, Mumenthaler and Wuthrich - refinement, structure calculation
NMR spectrometers:
- Bruker AVANCE 900 MHz
Download HSQC peak lists in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts