BMRB Entry 34785

Title:
SH3 domain solved by the exact solid-state method from the Bruker Dynamics Center using the combined correction method with PDB 2NUZ
Deposition date:
2023-02-02
Original release date:
2023-03-01
Authors:
Soeldner, B.
Citation:

Citation: Soldner, B.; Grohe, K.; Neidig, P.; Auch, J.; Blach, S.; Klein, A.; Vasa, S.; Schafer, L.; Linser, R.. "Integrated Assessment of the Structure and Dynamics of Solid Proteins."  J. Phys. Chem. Lett. 14, 1725-1731 (2023).
PubMed: 36757335

Assembly members:

Assembly members:
entity_1, polymer, 62 residues, 7229.244 Da.

Natural source:

Natural source:   Common Name: chicken   Taxonomy ID: 9031   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Gallus gallus

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli BL21(DE3)

Entity Sequences (FASTA):

Data sets:
Data typeCount
13C chemical shifts234
15N chemical shifts57
1H chemical shifts364

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1unit_11

Entities:

Entity 1, unit_1 62 residues - 7229.244 Da.

1   METASPGLUTHRGLYLYSGLULEUVALLEU
2   ALALEUTYRASPTYRGLNGLULYSSERPRO
3   ARGGLUVALTHRMETLYSLYSGLYASPILE
4   LEUTHRLEULEUASNSERTHRASNLYSASP
5   TRPTRPLYSVALGLUVALASNASPARGGLN
6   GLYPHEVALPROALAALATYRVALLYSLYS
7   LEUASP

Samples:

sample_1: SH3 of chicken alpha-spectrin, [U-100% 13C; U-100% 15N], 1 na

sample_conditions_1: ionic strength: 0 M; pH: 7.0; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
3D S2B pulse sequence with MOCCA-mixing between carbonssample_1isotropicsample_conditions_1
5D S2B combined with a simultaneous 4D HCCHsample_1isotropicsample_conditions_1
15 time-shared 15N/13C-edited H-RFDR-h(N/C)H RFDR pulse sequence with 1H-1H homonuclear mixing times from 150 us to 1.9 mssample_1isotropicsample_conditions_1

Software:

ARIA v2.3, Linge, O'Donoghue and Nilges - refinement, structure calculation

CcpNmr Analysis v2.5.2, Wim F. Vranken, etc. - chemical shift assignment, peak picking

NMR spectrometers:

  • Bruker AVANCE NEO 800 MHz
  • Bruker AVANCE NEO 700 MHz

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