BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
Member of WWPDB

BMRB Entry 30768

Title: Structure of the Self-Association Domain of Swallow   PubMed: 33641207

Deposition date: 2020-07-07 Original release date: 2021-03-19

Authors: Loening, N.; Barbar, E.

Citation: Loening, N.; Barbar, E.. "Structural characterization of the self-association domain of swallow"  Protein Sci. ., .-. (2021).

Assembly members:
entity_1, polymer, 71 residues, 8559.464 Da.

Natural source:   Common Name: Fruit fly   Taxonomy ID: 7227   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Drosophila melanogaster

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli BL21(DE3)   Vector: Champion pET SUMO

Entity Sequences (FASTA):
entity_1: SFDRLLAENESLQQKINSLE VEAKRLQGFNEYVQERLDRI TDDFVKMKDNFETLRTELSE AQQKLRRQQDN

Data sets:
Data typeCount
13C chemical shifts345
15N chemical shifts89
1H chemical shifts535

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1unit_11
2unit_21

Entities:

Entity 1, unit_1 71 residues - 8559.464 Da.

1   SERPHEASPARGLEULEUALAGLUASNGLU
2   SERLEUGLNGLNLYSILEASNSERLEUGLU
3   VALGLUALALYSARGLEUGLNGLYPHEASN
4   GLUTYRVALGLNGLUARGLEUASPARGILE
5   THRASPASPPHEVALLYSMETLYSASPASN
6   PHEGLUTHRLEUARGTHRGLULEUSERGLU
7   ALAGLNGLNLYSLEUARGARGGLNGLNASP
8   ASN

Samples:

sample_1: Residues 205-275 of Swallow, [U-99% 13C; U-99% 15N], 0.5 mM; sodium chloride 10 mM; MES 20 mM; sodium azide 1 mM; DSS 0.2 mM

sample_2: Residues 205-275 of Swallow, [U-99% 13C; U-99% 15N], 0.4 mM; sodium chloride 10 mM; MES 20 mM; sodium azide 1 mM; DSS 0.2 mM; unlabeled Residues 205-275 of Swallow 0.4 mM

sample_conditions_1: ionic strength: 30 mM; pH: 5.6; pressure: 1 atm; temperature: 313 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-13C HSQCsample_1isotropicsample_conditions_1
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
3D 1H-15N NOESYsample_1isotropicsample_conditions_1
3D 1H-13C NOESYsample_1isotropicsample_conditions_1
3D 1H-13C NOESY aromaticsample_2isotropicsample_conditions_1
3D 1H-13C NOESYsample_2isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D HN(COCA)CBsample_1isotropicsample_conditions_1
3D HBHA(CO)NHsample_1isotropicsample_conditions_1
3D H(CCO)NHsample_1isotropicsample_conditions_1
3D C(CO)NHsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D HN(CA)COsample_1isotropicsample_conditions_1

Software:

CNS v1.21, Brunger A. T. et.al. - refinement

ARIA v2.3.2, Linge, O'Donoghue and Nilges - structure calculation

CcpNmr Analysis v2.5, CCPN - chemical shift assignment, peak picking

NMR spectrometers:

  • Bruker AVANCE III 950 MHz
  • Bruker AVANCE II 600 MHz
  • Bruker AVANCE III 900 MHz
  • Bruker AVANCE III 700 MHz
  • Bruker AVANCE III HD 800 MHz

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