BMRB Entry 51688
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR51688
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Title: Chemical shift assignments of truncated structured core of HPy1 repetitive unit from Argiope argentata PubMed: 36802452
Deposition date: 2022-11-05 Original release date: 2023-03-14
Authors: Simmons, Jeffrey; Rainey, Jan
Citation: Simmons, Jeffrey; Gasmi-Seabrook, Genevieve; Rainey, Jan. "Structural Features, Intrinsic Disorder, and Modularity of a Pyriform Spidroin 1 Core Repetitive Domain" Biochem. Cell Biol. 101, 271-283 (2023).
Assembly members:
entity_1, polymer, 144 residues, 14627.0483 Da.
Natural source: Common Name: Argiope argentata Taxonomy ID: 233271 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Argiope argentata
Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pET32
Entity Sequences (FASTA):
entity_1: MGHHHHHHSSAPVYFNSQTL
TNNLASSLQSLNALNYVSNG
QLSSSDVASTVARAVAQSLG
LSQGSVQNIMSQQLSSIGSG
ASTSSLSQAIANAVSSAVQG
SQAAAPGQEQSIAQRVNSAI
SSAFAQLISQRTAPAPAPRP
RPAS
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 528 |
| 15N chemical shifts | 144 |
| 1H chemical shifts | 803 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | HPy1 N2C2 v3 | 1 |
Entities:
Entity 1, HPy1 N2C2 v3 144 residues - 14627.0483 Da.
| 1 | MET | GLY | HIS | HIS | HIS | HIS | HIS | HIS | SER | SER | ||||
| 2 | ALA | PRO | VAL | TYR | PHE | ASN | SER | GLN | THR | LEU | ||||
| 3 | THR | ASN | ASN | LEU | ALA | SER | SER | LEU | GLN | SER | ||||
| 4 | LEU | ASN | ALA | LEU | ASN | TYR | VAL | SER | ASN | GLY | ||||
| 5 | GLN | LEU | SER | SER | SER | ASP | VAL | ALA | SER | THR | ||||
| 6 | VAL | ALA | ARG | ALA | VAL | ALA | GLN | SER | LEU | GLY | ||||
| 7 | LEU | SER | GLN | GLY | SER | VAL | GLN | ASN | ILE | MET | ||||
| 8 | SER | GLN | GLN | LEU | SER | SER | ILE | GLY | SER | GLY | ||||
| 9 | ALA | SER | THR | SER | SER | LEU | SER | GLN | ALA | ILE | ||||
| 10 | ALA | ASN | ALA | VAL | SER | SER | ALA | VAL | GLN | GLY | ||||
| 11 | SER | GLN | ALA | ALA | ALA | PRO | GLY | GLN | GLU | GLN | ||||
| 12 | SER | ILE | ALA | GLN | ARG | VAL | ASN | SER | ALA | ILE | ||||
| 13 | SER | SER | ALA | PHE | ALA | GLN | LEU | ILE | SER | GLN | ||||
| 14 | ARG | THR | ALA | PRO | ALA | PRO | ALA | PRO | ARG | PRO | ||||
| 15 | ARG | PRO | ALA | SER |
Samples:
sample_1: DSS 1.0 mM; NaN3 1.0 mM; HPy1 N2C2 v3, [U-100% 13C; U-100% 15N], 0.5 mM
sample_conditions_1: ionic strength: 0.050 M; pH: 6.000; pressure: 1.000 atm; temperature: 313.150 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 3D HNCACB | sample_1 | isotropic | sample_conditions_1 |
| N2C2 CbCaCONH (H[N[co[{CA|ca[C]}]]]) | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCO | sample_1 | isotropic | sample_conditions_1 |
| N2C2 HNCaCO (HNcaCO) | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-15N HSQC/HMQC | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-15N NOESY | 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-13C NOESY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC/HMQC | sample_1 | isotropic | sample_conditions_1 |
Software:
CcpNmr Analysis v2.4 - chemical shift assignment, data analysis
DANGLE v1.1 - data analysis
PyRPF v0.4 - data analysis
NMR spectrometers:
- Bruker Ascend 800 MHz
Download HSQC peak lists in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts