BMRB Entry 15901

Title:
Backbone 1H, 13C, and 15N Chemical Shift Assignments for D+PHS, a hyperstable variant of SNase, at pH 4.66
Deposition date:
2008-08-01
Original release date:
2009-06-24
Authors:
Castaneda, Carlos
Citation:

Citation: Castaneda, Carlos; Fitch, Carolyn; Majumdar, Ananya; Khangulov, Victor; Schlessman, Jamie; Garcia-Moreno, Bertrand. "Molecular determinants of the pKa values of Asp and Glu residues in staphylococcal nuclease."  Proteins 77, 570-588 (2009).
PubMed: 19533744

Assembly members:

Assembly members:
D+PHS, polymer, 143 residues, Formula weight is not available

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: Escherichia coli   Vector: PET24a+

Data sets:
Data typeCount
13C chemical shifts276
15N chemical shifts138
1H chemical shifts138

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1D+PHS1

Entities:

Entity 1, D+PHS 143 residues - Formula weight is not available

1   ALATHRSERTHRLYSLYSLEUHISLYSGLU
2   PROALATHRLEUILELYSALAILEASPGLY
3   ASPTHRVALLYSLEUMETTYRLYSGLYGLN
4   PROMETTHRPHEARGLEULEULEUVALASP
5   THRPROGLUPHEASNGLULYSTYRGLYPRO
6   GLUALASERALAPHETHRLYSLYSMETVAL
7   GLUASNALALYSLYSILEGLUVALGLUPHE
8   ASPLYSGLYGLNARGTHRASPLYSTYRGLY
9   ARGGLYLEUALATYRILETYRALAASPGLY
10   LYSMETVALASNGLUALALEUVALARGGLN
11   GLYLEUALALYSVALALATYRVALTYRLYS
12   GLYASNASNTHRHISGLUGLNLEULEUARG
13   LYSALAGLUALAGLNALALYSLYSGLULYS
14   LEUASNILETRPSERGLUASPASNALAASP
15   SERGLYGLN

Samples:

sample_1_pH_4p66: D+PHS, [U-99% 13C; U-99% 15N], 0.8-1.1 mM; potassium chloride 100 mM; potassium acetate 25 mM; D2O 10%; sodium azide 0.5 mM; H2O 90%

sample_conditions_1: ionic strength: 0.1 M; pH: 4.66; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1_pH_4p66isotropicsample_conditions_1
3D CBCA(CO)NHsample_1_pH_4p66isotropicsample_conditions_1
3D HNCACBsample_1_pH_4p66isotropicsample_conditions_1

Software:

SPARKY v3.110, Goddard - chemical shift assignment, peak picking

NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing

NMRDraw, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing

NMR spectrometers:

  • Varian INOVA 600 MHz

Related Database Links:

BMRB 16123
PDB

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