BMRB Entry 27610
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR27610
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Title: Sequence-specific 1H, 13C, and 15N backbone assignment of Fibronectin type III 14 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:
FNIII14, polymer, 91 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
Entity Sequences (FASTA):
FNIII14: GHMDAPSNLRFLATTPNSLL
VSWQPPRARITGYIIKYEKP
GSPPREVVPRPRPGVTEATI
TGLEPGTEYTIYVIALKNNQ
KSEPLIGRKKT
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 389 |
| 15N chemical shifts | 80 |
| 1H chemical shifts | 624 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | FNIII14 | 1 |
Entities:
Entity 1, FNIII14 91 residues - Formula weight is not available
| 1 | GLY | HIS | MET | ASP | ALA | PRO | SER | ASN | LEU | ARG | ||||
| 2 | PHE | LEU | ALA | THR | THR | PRO | ASN | SER | LEU | LEU | ||||
| 3 | VAL | SER | TRP | GLN | PRO | PRO | ARG | ALA | ARG | ILE | ||||
| 4 | THR | GLY | TYR | ILE | ILE | LYS | TYR | GLU | LYS | PRO | ||||
| 5 | GLY | SER | PRO | PRO | ARG | GLU | VAL | VAL | PRO | ARG | ||||
| 6 | PRO | ARG | PRO | GLY | VAL | THR | GLU | ALA | THR | ILE | ||||
| 7 | THR | GLY | LEU | GLU | PRO | GLY | THR | GLU | TYR | THR | ||||
| 8 | ILE | TYR | VAL | ILE | ALA | LEU | LYS | ASN | ASN | GLN | ||||
| 9 | LYS | SER | GLU | PRO | LEU | ILE | GLY | ARG | LYS | LYS | ||||
| 10 | THR |
Samples:
sample_1: FNIII14, [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 |
| 3D HNHA | sample_1 | isotropic | sample_conditions_1 |
| 3D HCCH-COSY | sample_1 | isotropic | sample_conditions_1 |
| 3D HCCH-TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-15N NOESY | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-13C NOESY | 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 simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts