BMRB Entry 25819
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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/BMR25819
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Title: Solution Structure of Leptospiral LigA4 Big Domain PubMed: 26449456
Deposition date: 2015-10-19 Original release date: 2015-10-19
Authors: Mei, Song
Citation: Mei, Song; Zhang, Jiahai; Zhang, Xuecheng; Tu, Xiaoming. "Solution Structure of Leptospiral LigA4 Big Domain" Biochem. Biophys. Res. Commun. 467, 288-292 (2015).
Assembly members:
entity, polymer, 92 residues, 9481.341 Da.
Natural source: Common Name: Leptospira Taxonomy ID: 171 Superkingdom: Bacteria Kingdom: not available Genus/species: Leptospira not available
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
entity: MPAALVSISVSPTNSTVAKG
LQENFKATGIFTDNSNSDIT
DQVTWDSSNTDILSISNASD
SHGLASTLNQGNVKVTASIG
GIQGSTDFKVTQ
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 233 |
| 15N chemical shifts | 100 |
| 1H chemical shifts | 457 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | entity | 1 |
Entities:
Entity 1, entity 92 residues - 9481.341 Da.
| 1 | MET | PRO | ALA | ALA | LEU | VAL | SER | ILE | SER | VAL | ||||
| 2 | SER | PRO | THR | ASN | SER | THR | VAL | ALA | LYS | GLY | ||||
| 3 | LEU | GLN | GLU | ASN | PHE | LYS | ALA | THR | GLY | ILE | ||||
| 4 | PHE | THR | ASP | ASN | SER | ASN | SER | ASP | ILE | THR | ||||
| 5 | ASP | GLN | VAL | THR | TRP | ASP | SER | SER | ASN | THR | ||||
| 6 | ASP | ILE | LEU | SER | ILE | SER | ASN | ALA | SER | ASP | ||||
| 7 | SER | HIS | GLY | LEU | ALA | SER | THR | LEU | ASN | GLN | ||||
| 8 | GLY | ASN | VAL | LYS | VAL | THR | ALA | SER | ILE | GLY | ||||
| 9 | GLY | ILE | GLN | GLY | SER | THR | ASP | PHE | LYS | VAL | ||||
| 10 | THR | GLN |
Samples:
sample_1: entity, [U-13C; U-15N], 0.5 mM; sodium chloride 100 mM
sample_conditions_1: ionic strength: 0.1 M; pH: 6.5; pressure: 1 atm; temperature: 293 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
Software:
SPARKY, Goddard - chemical shift assignment
NMR spectrometers:
- Bruker AMX 600 MHz
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts