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 18945

Title: k-Ssm1a

Deposition date: 2013-01-09 Original release date: 2014-01-13

Authors: King, Glenn; Undheim, Eivind; Mobli, Mehdi; Yang, Shilong; Rong, Mingqiang; Lai, Ren

Citation: Undheim, Eivind; Yang, Shilong; Mobli, Mehdi; Rong, Mingqiang; Lai, Ren; King, Glenn. "NMR study of k-Ssm1a"  Not known ., .-..

Assembly members:
k-Ssm1a, polymer, 52 residues, 6214.842 Da.

Natural source:   Common Name: Centipedes   Taxonomy ID: 55038   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Scolopendra subspinipes

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

Entity Sequences (FASTA):
k-Ssm1a: TDDESSNKCAKTKRRENVCR VCGNRSGNDEYYSECCESDY RYHRCLDLLRNF

Data sets:
Data typeCount
13C chemical shifts209
15N chemical shifts63
1H chemical shifts337

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1k-Ssm1a1

Entities:

Entity 1, k-Ssm1a 52 residues - 6214.842 Da.

1   THRASPASPGLUSERSERASNLYSCYSALA
2   LYSTHRLYSARGARGGLUASNVALCYSARG
3   VALCYSGLYASNARGSERGLYASNASPGLU
4   TYRTYRSERGLUCYSCYSGLUSERASPTYR
5   ARGTYRHISARGCYSLEUASPLEULEUARG
6   ASNPHE

Samples:

sample_1: ammonium acetate 20 mM; k-Ss1a, [U-13C; U-15N], 400 uM; D2O 5%; H2O 95%

sample_conditions_1: pH: 5; 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
4D HCC(CO)NH-TOCSYsample_1isotropicsample_conditions_1
3D 1H-15N NOESYsample_1isotropicsample_conditions_1
3D 1H-13C NOESY aliphaticsample_1isotropicsample_conditions_1
3D 1H-13C NOESY aromaticsample_1isotropicsample_conditions_1

Software:

XEASY v3.2, Bartels et al. - chemical shift assignment, peak picking

TALOS vTALOS+, Cornilescu, Delaglio and Bax - chemical shift calculation, geometry optimization

CYANA v3.0, Guntert, Mumenthaler and Wuthrich - data analysis, geometry optimization, structure solution

TOPSPIN v3.0, Bruker Biospin - collection, processing

Rowland NMR Toolkit v3.0, University of Connecticut - processing

NMR spectrometers:

  • Bruker Avance 900 MHz

Related Database Links:

PDB
GB AFM55003
SP I6RU32

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