BMRB Entry 51179
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR51179
NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
XML gzip file.
RDF gzip file.
All files associated with the entry
Title: Alpha X I domain NMR backbone assignment PubMed: 36001965
Deposition date: 2021-11-16 Original release date: 2021-12-16
Authors: Abousaway, Omar; Mazhar, Zahra; Aboagye, Collins; Sen, Mehmet
Citation: Manandhar, Pragya; Abousaway, Omar; Mazhar, Zahra; Moussa, Zeinab; Aboagye, Collins; Lim, Daniel; Yu, Tannon; Byrnes, James; Briggs, James; Sen, Mehmet. "Heterotropic roles of divalent cations in the establishment of allostery and affinity maturation of integrin aXb2" Cell Rep. 40, 111254-111254 (2022).
Assembly members:
entity_1, polymer, 189 residues, 21343.25 Da.
entity_MG, non-polymer, 24.305 Da.
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: pet28a
Entity Sequences (FASTA):
entity_1: QDIVFLIDGSGSISSRNFAT
MMNFVRAVISQFQRPSTQFS
LMQFSNKFQTHFTFEEFRRS
SNPLSLLASVHQLQGFTYTA
TAIQNVVHRLFHASYGARRD
ATKILIVITDGKKEGDSLDY
KDVIPMADAAGIIRYAIGVG
LAFQNRNSWKELNDIASKPS
QEHIFKVEDFDALKDIQNQL
KEKIFAIEG
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 514 |
| 15N chemical shifts | 167 |
| 1H chemical shifts | 167 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | human alpha X integrin | 1 |
| 2 | Mg2+ ion | 2 |
Entities:
Entity 1, human alpha X integrin 189 residues - 21343.25 Da.
| 1 | GLN | ASP | ILE | VAL | PHE | LEU | ILE | ASP | GLY | SER | ||||
| 2 | GLY | SER | ILE | SER | SER | ARG | ASN | PHE | ALA | THR | ||||
| 3 | MET | MET | ASN | PHE | VAL | ARG | ALA | VAL | ILE | SER | ||||
| 4 | GLN | PHE | GLN | ARG | PRO | SER | THR | GLN | PHE | SER | ||||
| 5 | LEU | MET | GLN | PHE | SER | ASN | LYS | PHE | GLN | THR | ||||
| 6 | HIS | PHE | THR | PHE | GLU | GLU | PHE | ARG | ARG | SER | ||||
| 7 | SER | ASN | PRO | LEU | SER | LEU | LEU | ALA | SER | VAL | ||||
| 8 | HIS | GLN | LEU | GLN | GLY | PHE | THR | TYR | THR | ALA | ||||
| 9 | THR | ALA | ILE | GLN | ASN | VAL | VAL | HIS | ARG | LEU | ||||
| 10 | PHE | HIS | ALA | SER | TYR | GLY | ALA | ARG | ARG | ASP | ||||
| 11 | ALA | THR | LYS | ILE | LEU | ILE | VAL | ILE | THR | ASP | ||||
| 12 | GLY | LYS | LYS | GLU | GLY | ASP | SER | LEU | ASP | TYR | ||||
| 13 | LYS | ASP | VAL | ILE | PRO | MET | ALA | ASP | ALA | ALA | ||||
| 14 | GLY | ILE | ILE | ARG | TYR | ALA | ILE | GLY | VAL | GLY | ||||
| 15 | LEU | ALA | PHE | GLN | ASN | ARG | ASN | SER | TRP | LYS | ||||
| 16 | GLU | LEU | ASN | ASP | ILE | ALA | SER | LYS | PRO | SER | ||||
| 17 | GLN | GLU | HIS | ILE | PHE | LYS | VAL | GLU | ASP | PHE | ||||
| 18 | ASP | ALA | LEU | LYS | ASP | ILE | GLN | ASN | GLN | LEU | ||||
| 19 | LYS | GLU | LYS | ILE | PHE | ALA | ILE | GLU | GLY |
Entity 2, Mg2+ ion - Mg - 24.305 Da.
| 1 | MG |
Samples:
sample_1: human alpha x integrin ligand binding domain, [U-100% 15N], 10 mg/mL; magnesium 1 mM
sample_conditions_1: ionic strength: 2 mM; pH: 6.0; pressure: 1 atm; temperature: 293 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 3D CBCA(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D HN(CA)CO | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCO | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCA | sample_1 | isotropic | sample_conditions_1 |
| 3D HN(CO)CA | sample_1 | isotropic | sample_conditions_1 |
Software:
SPARKY v3.115 - chemical shift assignment, peak picking
NMRPipe - processing
NMR spectrometers:
- Bruker Avance 800 MHz
Related Database Links:
| NCBI | 3687 |
Download HSQC peak lists in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts