BMRB Entry 27345

Title:
Backbone 1H, 13C, 15N Chemical Shift Assignments of SH3 Seq3
Deposition date:
2017-12-19
Original release date:
2018-03-08
Authors:
Tian, Pengfei; Louis, John; Baber, James; Best, Robert
Citation:

Citation: Tian, Pengfei; Louis, John; Baber, James; Aniana, A.; Best, Robert. "Co-evolutionary fitness landscapes for sequence design"  Angew. Chem. Int. Ed. Engl. 57, 5674-5678 (2018).
PubMed: 29512300

Assembly members:

Assembly members:
SH3_Seq3, polymer, 68 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: na

Entity Sequences (FASTA):

Data sets:
Data typeCount
13C chemical shifts158
15N chemical shifts53
1H chemical shifts165
residual dipolar couplings45

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1SH3 Seq3 monomer1

Entities:

Entity 1, SH3 Seq3 monomer 68 residues - Formula weight is not available

1   GLYSERSERHISHISHISHISHISHISSER
2   SERGLYPROGLUPHEVALARGALALEUTYR
3   ASPTYRGLNALALYSSERGLUASPGLULEU
4   SERPHELYSGLUGLYASPILELEULEUVAL
5   VALGLULYSASPASPASPGLYTRPTRPGLU
6   VALGLULEUARGTRPLYSARGGLYLEUVAL
7   PROSERASNTYRVALGLULYSLEU

Samples:

sample_1: SH3 Seq3, [U-99% 13C; U-99% 15N], 1.38 mM; imidazole 20 mM; potassium phosphate 17 mM; sodium phosphate 5 mM; sodium chloride 150 mM

sample_2: SH3 Seq3, [U-99% 13C; U-99% 15N], 1.38 mM; imidazole 20 mM; potassium phosphate 17 mM; sodium phosphate 5 mM; sodium chloride 150 mM; Pf1 phage 13 mg/mL

sample_conditions_1: ionic strength: 0.18 M; pH: 7.4; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
3D CBCA(CO)NHsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D HBHA(CO)NHsample_1isotropicsample_conditions_1
3D C(CO)NHsample_1isotropicsample_conditions_1
3D 1H-15N NOESYsample_1isotropicsample_conditions_1
2D 1H-15N HSQC IPAPsample_2isotropicsample_conditions_1

Software:

ccpnmr, CCPN - chemical shift assignment

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

NMR spectrometers:

  • Bruker Avance 600 MHz

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