BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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BMRB Entry 34420

Title: SH3-subunit of chicken alpha spectrin solved by NMR

Deposition date: 2019-07-25 Original release date: 2020-08-06

Authors: Grohe, K.; Hebrank, C.; Linser, R.

Citation: Grohe, K.; Hebrank, C.; Patel, S.; Gomez, S.; Rovo, P.; Voegeli, B.; Shaefer, L.; Linser, R.. "A comparative study of novel experimental approaches for the elucidation of directional protein motion"  . ., .-..

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

Natural source:   Common Name: Pig   Taxonomy ID: 9823   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Sus scrofa

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

Entity Sequences (FASTA):
entity_1: MDETGKELVLALYDYQEKSP REVTMKKGDILTLLNSTNKD WWKVEVNDRQGFVPAAYVKK LD

Data sets:
Data typeCount
13C chemical shifts191
15N chemical shifts66
1H chemical shifts368

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-domain of chicken alpha spectrin, [U-15N; U-13C], 12 mg/L

sample_conditions_1: pH: 3.5; pressure: 1 atm; temperature: 295 K

Experiments:

NameSampleSample stateSample conditions
3D 1H-15N NOESYsample_1isotropicsample_conditions_1
3D 1H-13C NOESYsample_1isotropicsample_conditions_1
3D HNHAsample_1isotropicsample_conditions_1
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
2D 1H-13C HSQCsample_1isotropicsample_conditions_1

Software:

TopSpin v3.7, Bruker Biospin - processing

CYANA v3.98.5, Guntert, Mumenthaler and Wuthrich - structure calculation

CcpNmr Analysis v2.4.1, CCPN - chemical shift assignment

NMR spectrometers:

  • Bruker Avance 3 800 MHz

Download simulated HSQC data in one of the following formats:
CSV: Backbone or all simulated shifts
SPARKY: Backbone or all simulated shifts