BMRB Entry 50963
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR50963
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Title: Backbone Resonance Assignment of PDI b'xa' Domain Construct PubMed: 34169459
Deposition date: 2021-06-07 Original release date: 2021-06-17
Authors: Pei, Yunshan; Liu, Xiaoli; cheng, Kai; Xu, Guohua; Jiang, Ling; Li, Conggang
Citation: Pei, Yunshan; Liu, Xiaoli; Cheng, Kai; Xu, Guohua; Jiang, Ling; Li, Conggang. "Backbone resonance assignment of PDI b'xa' domain construct" Biomol. NMR Assign. 15, 409-413 (2021).
Assembly members:
entity_1, polymer, 249 residues, Formula weight is not available
Natural source: Common Name: Human Taxonomy ID: 9606 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Homo sapiens
Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pET-21a
Entity Sequences (FASTA):
entity_1: VIEFTEQTAPKIFGGEIKTH
ILLFLPKSVSDYDGKLSNFK
TAAESFKGKILFIFIDSDHT
DNQRILEFFGLKKEECPAVR
LITLEEEMTKYKPESEELTA
ERITEFCHRFLEGKIKPHLM
SQELPEDWDKQPVKVLVGKN
FEDVAFDEKKNVFVEFYAPW
CGHCKQLAPIWDKLGETYKD
HENIVIAKMDSTANEVEAVK
VHSFPTLKFFPASADRTVID
YNGERTLDGFKKFLESGGQD
GAGHHHHHH
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 659 |
| 15N chemical shifts | 211 |
| 1H chemical shifts | 211 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | PDI b'xa' | 1 |
Entities:
Entity 1, PDI b'xa' 249 residues - Formula weight is not available
| 1 | VAL | ILE | GLU | PHE | THR | GLU | GLN | THR | ALA | PRO | ||||
| 2 | LYS | ILE | PHE | GLY | GLY | GLU | ILE | LYS | THR | HIS | ||||
| 3 | ILE | LEU | LEU | PHE | LEU | PRO | LYS | SER | VAL | SER | ||||
| 4 | ASP | TYR | ASP | GLY | LYS | LEU | SER | ASN | PHE | LYS | ||||
| 5 | THR | ALA | ALA | GLU | SER | PHE | LYS | GLY | LYS | ILE | ||||
| 6 | LEU | PHE | ILE | PHE | ILE | ASP | SER | ASP | HIS | THR | ||||
| 7 | ASP | ASN | GLN | ARG | ILE | LEU | GLU | PHE | PHE | GLY | ||||
| 8 | LEU | LYS | LYS | GLU | GLU | CYS | PRO | ALA | VAL | ARG | ||||
| 9 | LEU | ILE | THR | LEU | GLU | GLU | GLU | MET | THR | LYS | ||||
| 10 | TYR | LYS | PRO | GLU | SER | GLU | GLU | LEU | THR | ALA | ||||
| 11 | GLU | ARG | ILE | THR | GLU | PHE | CYS | HIS | ARG | PHE | ||||
| 12 | LEU | GLU | GLY | LYS | ILE | LYS | PRO | HIS | LEU | MET | ||||
| 13 | SER | GLN | GLU | LEU | PRO | GLU | ASP | TRP | ASP | LYS | ||||
| 14 | GLN | PRO | VAL | LYS | VAL | LEU | VAL | GLY | LYS | ASN | ||||
| 15 | PHE | GLU | ASP | VAL | ALA | PHE | ASP | GLU | LYS | LYS | ||||
| 16 | ASN | VAL | PHE | VAL | GLU | PHE | TYR | ALA | PRO | TRP | ||||
| 17 | CYS | GLY | HIS | CYS | LYS | GLN | LEU | ALA | PRO | ILE | ||||
| 18 | TRP | ASP | LYS | LEU | GLY | GLU | THR | TYR | LYS | ASP | ||||
| 19 | HIS | GLU | ASN | ILE | VAL | ILE | ALA | LYS | MET | ASP | ||||
| 20 | SER | THR | ALA | ASN | GLU | VAL | GLU | ALA | VAL | LYS | ||||
| 21 | VAL | HIS | SER | PHE | PRO | THR | LEU | LYS | PHE | PHE | ||||
| 22 | PRO | ALA | SER | ALA | ASP | ARG | THR | VAL | ILE | ASP | ||||
| 23 | TYR | ASN | GLY | GLU | ARG | THR | LEU | ASP | GLY | PHE | ||||
| 24 | LYS | LYS | PHE | LEU | GLU | SER | GLY | GLY | GLN | ASP | ||||
| 25 | GLY | ALA | GLY | HIS | HIS | HIS | HIS | HIS | HIS |
Samples:
sample_1: PDI b'xa', [U-13C; U-15N; U-2H], 0.6 mM; sodium phosphate 20 mM; sodium chloride 200 mM; TCEP 5 mM
sample_conditions_1: ionic strength: 200 mM; pH: 7.0; pressure: 1 atm; temperature: 303 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N TROSY | 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 HN(CO)CACB | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCO | sample_1 | isotropic | sample_conditions_1 |
Software:
TOPSPIN - collection
NMRPipe - processing
SPARKY - chemical shift assignment
NMR spectrometers:
- Bruker AVANCE III 850 MHz
Download HSQC peak lists in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts