BMRB Entry 19880
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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/BMR19880
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Title: NMR structure of Copsin
Deposition date: 2014-03-28 Original release date: 2014-10-27
Authors: Hofmann, Daniela; Wider, Gerhard; Essig, Andreas; Aebi, Markus
Citation: Essig, Andreas; Hofmann, Daniela; Muench, Daniela; Gayathri, Savitha; Sahl, Hans-Georg; Wider, Gerhard; Schneider, Tanja; Aebi, Markus. "Copsin" Proc. Natl. Acad. Sci. U.S.A. ., .-..
Assembly members:
entity, polymer, 57 residues, 6085.067 Da.
Natural source: Common Name: not available Taxonomy ID: not available Superkingdom: not available Kingdom: not available Genus/species: not available not available
Experimental source: Production method: recombinant technology Host organism: Pichia pastoris
Entity Sequences (FASTA):
entity: XNCPTRRGLCVTSGLTACRN
HCRSCHRGDVGCVRCSNAQC
TGFLGTTCTCINPCPRC
Data type | Count |
13C chemical shifts | 644 |
15N chemical shifts | 267 |
1H chemical shifts | 1392 |
Additional metadata:
Assembly:
Entity Assembly ID | Entity Name | Entity ID |
---|---|---|
1 | Copsin | 1 |
Entities:
Entity 1, Copsin 57 residues - 6085.067 Da.
1 | PCA | ASN | CYS | PRO | THR | ARG | ARG | GLY | LEU | CYS | ||||
2 | VAL | THR | SER | GLY | LEU | THR | ALA | CYS | ARG | ASN | ||||
3 | HIS | CYS | ARG | SER | CYS | HIS | ARG | GLY | ASP | VAL | ||||
4 | GLY | CYS | VAL | ARG | CYS | SER | ASN | ALA | GLN | CYS | ||||
5 | THR | GLY | PHE | LEU | GLY | THR | THR | CYS | THR | CYS | ||||
6 | ILE | ASN | PRO | CYS | PRO | ARG | CYS |
Samples:
Copsin_D2O: sodium phosphate 20 mM; sodium chloride 50 mM; D2O 100%; Copsin, [U-13C; U-15N],
sample_Copsin: sodium phosphate 20 mM; sodium chloride 50 mM; D2O 10%; Copsin, [U-13C; U-15N], ; H2O 90%
sample_conditions_1: ionic strength: 70 mM; pH: 6.8; pressure: 1 atm; temperature: 293 K
sample_conditions_high_pH: ionic strength: 70 mM; pH: 7.4; pressure: 1 atm; temperature: 293 K
Experiments:
Name | Sample | Sample state | Sample conditions |
---|---|---|---|
2D 1H-15N HSQC | sample_Copsin | isotropic | sample_conditions_1 |
2D 1H-13C HSQC | sample_Copsin | isotropic | sample_conditions_1 |
2D 1H-1H TOCSY | sample_Copsin | isotropic | sample_conditions_1 |
2D DQF-COSY | sample_Copsin | isotropic | sample_conditions_1 |
2D 1H-1H NOESY | sample_Copsin | isotropic | sample_conditions_1 |
3D 1H-15N TOCSY | sample_Copsin | isotropic | sample_conditions_1 |
3D HN(CO)CA | sample_Copsin | isotropic | sample_conditions_1 |
3D 1H-15N NOESY | sample_Copsin | isotropic | sample_conditions_1 |
3D 1H-13C NOESY | sample_Copsin | isotropic | sample_conditions_1 |
2D 1H-1H NOESY | Copsin_D2O | isotropic | sample_conditions_1 |
3D HNCO | Copsin_D2O | isotropic | sample_conditions_1 |
2D 1H-15N HSQC | sample_Copsin | isotropic | sample_conditions_high_pH |
Software:
AMBER v9, Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollman - refinement
CYANA v3.0, Guntert, Mumenthaler and Wuthrich - structure solution
ProcheckNMR, Laskowski, MacArthur, Smith, Jones, Hutchinson, Morris, Moss and Thornton - data analysis
XEASY v1.8.4, Bartels et al. - chemical shift assignment, peak picking
TOPSPIN v3.0, Bruker Biospin - collection
TALOS vtalos+, Cornilescu, Delaglio and Bax - data analysis
NMR spectrometers:
- Bruker Avance 500 MHz
- Bruker Avance 600 MHz
- Bruker Avance 700 MHz
- 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