BMRB Entry 27609
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR27609
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Title: Sequence-specific 1H, 13C, and 15N backbone assignment of Fibronectin type III 13 PubMed: 30260627
Deposition date: 2018-09-13 Original release date: 2018-10-01
Authors: Zhong, Xueyin; Arnolds, Oliver; Krenczyk, Oktavian; Gajewski, Jana; Puetz, Stefanie; Herrmann, Christian; Stoll, Raphael
Citation: Zhong, Xueyin; Arnolds, Oliver; Krenczyk, Oktavian; Gajewski, Jana; Puetz, Stefanie; Herrmann, Christian; Stoll, Raphael. "Structure in solution of fibronectin type III-domain 14 reveals its synergistic heparin binding site" Biochemistry 57, 6045-6049 (2018).
Assembly members:
FNIII13, polymer, 111 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-19
Entity Sequences (FASTA):
FNIII13: MGHHHHHHAENLYFQGHMLE
NVSPPRRARVTDATETTITI
SWRTKTETITGFQVDAVPAN
GQTPIQRTIKPDVRSYTITG
LQPGTDYKIYLYTLNDNARS
SPVVIDASTAI
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 230 |
| 15N chemical shifts | 81 |
| 1H chemical shifts | 84 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | FNIII13 | 1 |
Entities:
Entity 1, FNIII13 111 residues - Formula weight is not available
| 1 | MET | GLY | HIS | HIS | HIS | HIS | HIS | HIS | ALA | GLU | ||||
| 2 | ASN | LEU | TYR | PHE | GLN | GLY | HIS | MET | LEU | GLU | ||||
| 3 | ASN | VAL | SER | PRO | PRO | ARG | ARG | ALA | ARG | VAL | ||||
| 4 | THR | ASP | ALA | THR | GLU | THR | THR | ILE | THR | ILE | ||||
| 5 | SER | TRP | ARG | THR | LYS | THR | GLU | THR | ILE | THR | ||||
| 6 | GLY | PHE | GLN | VAL | ASP | ALA | VAL | PRO | ALA | ASN | ||||
| 7 | GLY | GLN | THR | PRO | ILE | GLN | ARG | THR | ILE | LYS | ||||
| 8 | PRO | ASP | VAL | ARG | SER | TYR | THR | ILE | THR | GLY | ||||
| 9 | LEU | GLN | PRO | GLY | THR | ASP | TYR | LYS | ILE | TYR | ||||
| 10 | LEU | TYR | THR | LEU | ASN | ASP | ASN | ALA | ARG | SER | ||||
| 11 | SER | PRO | VAL | VAL | ILE | ASP | ALA | SER | THR | ALA | ||||
| 12 | ILE |
Samples:
sample_1: FNIII13, [U-13C; U-15N], 1 mM; NaCl 137 mM; KCl 2.7 mM; Na2HPO4 10 mM; KH2PO4 1.4 mM; NaN3 0.02%
sample_conditions_1: ionic strength: 0.163 M; pH: 7.4; pressure: 1 atm; temperature: 298 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 HN(CO)CA | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCACB | sample_1 | isotropic | sample_conditions_1 |
| 3D HN(COCA)CB | sample_1 | isotropic | sample_conditions_1 |
| 3D CBCA(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC | sample_1 | isotropic | sample_conditions_1 |
Software:
CcpNMR, Bruker Biospin, CCPN - chemical shift assignment, processing
NMR spectrometers:
- Bruker DRX 600 MHz
- 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