BMRB Entry 19535
Click here to enlarge.
PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS, SPARTA
BMRB Entry DOI: doi:10.13018/BMR19535
MolProbity Validation Chart
NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
NMR-STAR v2.1 text file (deprecated)
XML gzip file.
RDF gzip file.
All files associated with the entry
Title: SGTX-Sf1a
Deposition date: 2013-10-04 Original release date: 2014-10-13
Authors: Mobli, Mehdi; Bende, Niraj; King, Glenn
Citation: Mobli, Mehdi; Bende, Niraj; King, Glenn; Volker, Herzig. "Structure of SGTX1-SF1A" Not known ., .-..
Assembly members:
SF1A, polymer, 47 residues, 5073.909 Da.
Natural source: Common Name: Tube web spider Taxonomy ID: 31925 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Segestria florentina
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
SF1A: SKECMTDGTVCYIHNHNDCC
GSCLCSNGPIARPWEMMVGN
CMCGPKA
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 182 |
| 15N chemical shifts | 49 |
| 1H chemical shifts | 291 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | SGTX-Sf1a | 1 |
Entities:
Entity 1, SGTX-Sf1a 47 residues - 5073.909 Da.
| 1 | SER | LYS | GLU | CYS | MET | THR | ASP | GLY | THR | VAL | ||||
| 2 | CYS | TYR | ILE | HIS | ASN | HIS | ASN | ASP | CYS | CYS | ||||
| 3 | GLY | SER | CYS | LEU | CYS | SER | ASN | GLY | PRO | ILE | ||||
| 4 | ALA | ARG | PRO | TRP | GLU | MET | MET | VAL | GLY | ASN | ||||
| 5 | CYS | MET | CYS | GLY | PRO | LYS | ALA |
Samples:
sample_1: SF1A, [U-99% 13C; U-99% 15N], 0.42 mM; D2O, [U-100% 2H], 5%; Sodium citrate 20 mM; H2O 95%; D2O 5%
sample_conditions_1: ionic strength: 20 mM; pH: 3.5; pressure: 1 atm; temperature: 313 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 3D CBCA(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D HBHA(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCACB | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-15N NOESY | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-13C NOESY aliphatic | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-13C NOESY aromatic | sample_1 | isotropic | sample_conditions_1 |
| 4D HC(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 2D (HB)CB(CGCC)H(ar) | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCO | sample_1 | isotropic | sample_conditions_1 |
Software:
Rownald_NMR_Toolkit vv3, Jeffrey C. Hoch - processing
CYANA v3, Guntert, Mumenthaler and Wuthrich - structure solution
TOPSPIN v3, Bruker Biospin - collection
TALOS v+, Cornilescu, Delaglio and Bax - structure solution
XEASY, Bartels et al. - chemical shift assignment
NMR spectrometers:
- Bruker Avance 900 MHz
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts