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
MolProbity Validation Chart

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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:

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:

Assembly members:
entity, polymer, 57 residues, 6085.067 Da.

Natural source:

Natural source:   Common Name: not available   Taxonomy ID: not available   Superkingdom: not available   Kingdom: not available   Genus/species: not available not available

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: Pichia pastoris   Vector: not applicable

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity: XNCPTRRGLCVTSGLTACRN HCRSCHRGDVGCVRCSNAQC TGFLGTTCTCINPCPRC

Data sets:
Data typeCount
13C chemical shifts644
15N chemical shifts267
1H chemical shifts1392

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
  • Hide all

Assembly:

Entity Assembly IDEntity NameEntity ID
1Copsin1

Entities:

Entity 1, Copsin 57 residues - 6085.067 Da.

1   PCAASNCYSPROTHRARGARGGLYLEUCYS
2   VALTHRSERGLYLEUTHRALACYSARGASN
3   HISCYSARGSERCYSHISARGGLYASPVAL
4   GLYCYSVALARGCYSSERASNALAGLNCYS
5   THRGLYPHELEUGLYTHRTHRCYSTHRCYS
6   ILEASNPROCYSPROARGCYS

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:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_Copsinisotropicsample_conditions_1
2D 1H-13C HSQCsample_Copsinisotropicsample_conditions_1
2D 1H-1H TOCSYsample_Copsinisotropicsample_conditions_1
2D DQF-COSYsample_Copsinisotropicsample_conditions_1
2D 1H-1H NOESYsample_Copsinisotropicsample_conditions_1
3D 1H-15N TOCSYsample_Copsinisotropicsample_conditions_1
3D HN(CO)CAsample_Copsinisotropicsample_conditions_1
3D 1H-15N NOESYsample_Copsinisotropicsample_conditions_1
3D 1H-13C NOESYsample_Copsinisotropicsample_conditions_1
2D 1H-1H NOESYCopsin_D2Oisotropicsample_conditions_1
3D HNCOCopsin_D2Oisotropicsample_conditions_1
2D 1H-15N HSQCsample_Copsinisotropicsample_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

Related Database Links:

PDB
GB AIU55999

Download HSQC peak lists in one of the following formats:
CSV: Backbone or all simulated peaks
SPARKY: Backbone or all simulated peaks