BMRB Entry 51228

Title:
Sidechain chemical shift assignments of fully protonated SH3 of chicken alpha-spectrin through 5D and 4D experiments
Deposition date:
2021-12-13
Original release date:
2022-02-22
Authors:
Klein, Alexander; Vasa, Suresh; Soldner, Benedikt; Grohe, Kristof; Linser, Rasmus
Citation:

Citation: Klein, Alexander; Vasa, Suresh; Soldner, Benedikt; Grohe, Kristof; Linser, Rasmus. "Unambiguous Side-Chain Assignments for Solid-State NMR Structure Elucidation of Nondeuterated Proteins via a Combined 5D/4D Side-Chain-to-Backbone Experiment"  J. Phys. Chem. Lett. 13, 1644-1651 (2022).
PubMed: 35147439

Assembly members:

Assembly members:
entity_1, polymer, 62 residues, 7200 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   Vector: pET3d

Entity Sequences (FASTA):

Data sets:
Data typeCount
13C chemical shifts209
15N chemical shifts51
1H chemical shifts303

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1SH31

Entities:

Entity 1, SH3 62 residues - 7200 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 mg

sample_conditions_1: pH: 8; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
5D HCCNHsample_1isotropicsample_conditions_1
4D HCCHsample_1isotropicsample_conditions_1

Software:

TOPSPIN v4.1.1 - collection

CcpNMR v3 - chemical shift assignment

SSA - processing

CYANA v3.98.13 - chemical shift assignment

NMR spectrometers:

  • Bruker AVANCE NEO 700 MHz

Related Database Links:

PDB

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