BMRB Entry 27331
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR27331
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Title: 1H, 13C and 15N resonance assignment of SpyCatcher part of complex PubMed: 32469203
Deposition date: 2017-12-05 Original release date: 2021-07-22
Authors: Liu, Jing; Wang, Shenlin
Citation: Zhang, Nan; Liu, Jing; Liu, Yajie; Wu, Wen-Hao; Fang, Jing; Da, Xiao-Di; Wang, Shenlin; Zhang, Wen-Bin. "NMR Spectroscopic Studies Reveal the Critical Role of the Isopeptide Bond in Forming the Otherwise Unstable SpyTag-SpyCatcher Mutant Complexes" Biochemistry 59, 2226-2236 (2020).
Assembly members:
SpyCatcher, polymer, 114 residues, Formula weight is not available
SpyTag, polymer, 16 residues, Formula weight is not available
Natural source: Common Name: Streptococcus pyogenes Taxonomy ID: 1314 Superkingdom: Bacteria Kingdom: not available Genus/species: Streptococcus pyogenes
Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pET-28a
Entity Sequences (FASTA):
SpyCatcher: AMVDTLSGLSSEQGQSGDMT
IEEDSATHIKFSKRDEDGKE
LAGATMELRDSSGKTISTWI
SDGQVKDFYLYPGKYTFVET
AAPDGYEVATAITFTVNEQG
QVTVNGKATKGDAH
SpyTag: AHIVMVDAYKPTKLDC
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 312 |
| 15N chemical shifts | 109 |
| 1H chemical shifts | 109 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | SpyCatcher | 1 |
| 2 | SpyTag | 2 |
Entities:
Entity 1, SpyCatcher 114 residues - Formula weight is not available
| 1 | ALA | MET | VAL | ASP | THR | LEU | SER | GLY | LEU | SER | ||||
| 2 | SER | GLU | GLN | GLY | GLN | SER | GLY | ASP | MET | THR | ||||
| 3 | ILE | GLU | GLU | ASP | SER | ALA | THR | HIS | ILE | LYS | ||||
| 4 | PHE | SER | LYS | ARG | ASP | GLU | ASP | GLY | LYS | GLU | ||||
| 5 | LEU | ALA | GLY | ALA | THR | MET | GLU | LEU | ARG | ASP | ||||
| 6 | SER | SER | GLY | LYS | THR | ILE | SER | THR | TRP | ILE | ||||
| 7 | SER | ASP | GLY | GLN | VAL | LYS | ASP | PHE | TYR | LEU | ||||
| 8 | TYR | PRO | GLY | LYS | TYR | THR | PHE | VAL | GLU | THR | ||||
| 9 | ALA | ALA | PRO | ASP | GLY | TYR | GLU | VAL | ALA | THR | ||||
| 10 | ALA | ILE | THR | PHE | THR | VAL | ASN | GLU | GLN | GLY | ||||
| 11 | GLN | VAL | THR | VAL | ASN | GLY | LYS | ALA | THR | LYS | ||||
| 12 | GLY | ASP | ALA | HIS |
Entity 2, SpyTag 16 residues - Formula weight is not available
| 1 | ALA | HIS | ILE | VAL | MET | VAL | ASP | ALA | TYR | LYS | ||||
| 2 | PRO | THR | LYS | LEU | ASP | CYS |
Samples:
sample_1: SpyCatcher, [U-100% 13C; U-100% 15N], 0.3 mM; SpyTag 0.3 mM
sample_conditions_1: ionic strength: 16 mM; pH: 7.5; pressure: 1 atm; temperature: 288 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | 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 CBCA(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCACO | sample_1 | isotropic | sample_conditions_1 |
Software:
TOPSIN, Bruker Biospin - collection, processing
CARA, Keller and Wuthrich - chemical shift assignment
NMR spectrometers:
- Bruker Avance 700 MHz
Download HSQC peak lists in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts