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 25223

Title: mu-SLPTX3-Ssm6a

Deposition date: 2014-09-13 Original release date: 2015-06-22

Authors: Undheim, Eivind; King, Glenn; Mobli, Mehdi

Citation: Undheim, Eivind; Grimm, Lena; Low, Chek-Fong; Morgenstern, David; Herzig, Volker; Zobel-Thropp, Pamela; Pineda, Sandy; Habib, Rosaline; Dziemborowicz, Slawomir; Fry, Bryan; Nicholson, Graham; Binford, Greta; Mobli, Mehdi; King, Glenn. "Weaponization of a hormone: convergent recruitment of hyperglycemic hormone into the venom of arthropod predators"  Not known ., .-..

Assembly members:
entity, polymer, 46 residues, 5333.025 Da.

Natural source:   Common Name: Chinese red-headed centipede   Taxonomy ID: 251420   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Scolopendra mutilans

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

Entity Sequences (FASTA):
entity: ADNKCENSLRREIACGQCRD KVKTDGYFYECCTSDSTFKK CQDLLH

Data sets:
Data typeCount
13C chemical shifts188
15N chemical shifts49
1H chemical shifts300

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1entity1

Entities:

Entity 1, entity 46 residues - 5333.025 Da.

1   ALAASPASNLYSCYSGLUASNSERLEUARG
2   ARGGLUILEALACYSGLYGLNCYSARGASP
3   LYSVALLYSTHRASPGLYTYRPHETYRGLU
4   CYSCYSTHRSERASPSERTHRPHELYSLYS
5   CYSGLNASPLEULEUHIS

Samples:

sample_1: mu-SLPTX3-Ssm6a, [U-13C; U-15N], 400 uM; ammonium acetate 20 mM; D2O, [U-99% 2H], 5%

sample_2: mu-SLPTX3-Ssm6a 300 uM; ammonium acetate 20 mM; D2O, [U-99% 2H], 5%

sample_conditions_1: pH: 5; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
3D HBHA(CO)NHsample_1isotropicsample_conditions_1
3D CBCA(CO)NHsample_1isotropicsample_conditions_1
3D HNCOsample_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
3D 1H-15N TOCSYsample_1isotropicsample_conditions_1
2D 1H-13C HSQCsample_1isotropicsample_conditions_1
2D 1H-1H TOCSYsample_2isotropicsample_conditions_1
2D 1H-1H NOESYsample_2isotropicsample_conditions_1

Software:

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

Analysis, CCPN - chemical shift assignment, peak picking

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

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

TOPSPIN, Bruker Biospin - collection, processing

Rowland_NMR_Toolkit, University of Connecticut - processing

NMR spectrometers:

  • Bruker Avance 900 MHz

Related Database Links:

UNP P0DL36
PDB
SP P0DL36

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