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 19542

Title: Mambalgin-2   PubMed: 24323786

Deposition date: 2013-10-08 Original release date: 2014-01-02

Authors: Schroeder, Christina; Rash, Lachlan; Vilas-Farr s, Xavier; Rosengren, Johan; Mobli, Mehdi; King, Glenn; Alewood, Paul; Craik, David; Durek, Thomas

Citation: Schroeder, Christina; Rash, Lachlan; Vila-Farres, Xavier; Rosengren, K. Johan; Mobli, Mehdi; King, Glenn; Alewood, Paul; Craik, David; Durek, Thomas. "Chemical Synthesis, 3D Structure, and ASIC Binding Site of the Toxin Mambalgin-2."  Angew. Chem. Int. Ed. Engl. 53, 1017-1020 (2014).

Assembly members:
entity, polymer, 57 residues, 6558.660 Da.

Natural source:   Common Name: not available   Taxonomy ID: not available   Superkingdom: not available   Kingdom: not available   Genus/species: not available not available

Experimental source:   Production method: chemical synthesis   Host organism: N/A

Entity Sequences (FASTA):
entity: LKCFQHGKVVTCHRDMKFCY HNTGMPFRNLKLILQGCSSS CSETENNKCCSTDRCNK

Data sets:
Data typeCount
13C chemical shifts143
15N chemical shifts58
1H chemical shifts371

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1Mambalgin-21

Entities:

Entity 1, Mambalgin-2 57 residues - 6558.660 Da.

1   LEULYSCYSPHEGLNHISGLYLYSVALVAL
2   THRCYSHISARGASPMETLYSPHECYSTYR
3   HISASNTHRGLYMETPROPHEARGASNLEU
4   LYSLEUILELEUGLNGLYCYSSERSERSER
5   CYSSERGLUTHRGLUASNASNLYSCYSCYS
6   SERTHRASPARGCYSASNLYS

Samples:

sample_1: Mambalgin-2 0.2 mM; H2O 90%; D2O 10%

sample_2: Mambalgin-2 0.2 mM; D2O 100%

sample_conditions_1: pH: 3.6; pressure: 1 atm; temperature: 298 K

sample_conditions_2: pH: 3.6; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-1H TOCSYsample_1isotropicsample_conditions_1
2D 1H-1H NOESYsample_1isotropicsample_conditions_1
2D DQF-COSYsample_1isotropicsample_conditions_1
2D 1H-13C HSQCsample_1isotropicsample_conditions_1
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
2D 1H-13C HSQCsample_2isotropicsample_conditions_2
2D ECOSYsample_2isotropicsample_conditions_2
2D 1H-1H TOCSYsample_2isotropicsample_conditions_2
2D 1H-1H NOESYsample_2isotropicsample_conditions_2

Software:

TOPSPIN, Bruker Biospin - collection

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

CYANA, Guntert, Mumenthaler and Wuthrich - structure solution

CNS, Brunger, Adams, Clore, Gros, Nilges and Read - refinement, structure solution

NMR spectrometers:

  • Bruker Avance 600 MHz

Related Database Links:

BMRB 19746
PDB
GB AFT65615
SP P0DKR6 P0DKS3

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