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 19746

Title: Solution structure of synthetic Mamba-1 peptide   PubMed: 24619065

Deposition date: 2014-01-21 Original release date: 2015-01-26

Authors: He, Yao; Wu, Fangming; Tian, Changlin

Citation: Pan, Fei; He, Yao; Wen, Ming; Wu, Fangming; Sun, Demeng; Liu, Lei; Zhang, Longhua; Li, Yiming; Tian, Changlin. "One-pot hydrazide-based native chemical ligation for efficient chemical synthesis and structure determination of toxin Mambalgin-1"  Chem. Commun. (Camb.) 50, 5837-5839 (2014).

Assembly members:
Mamba-1, polymer, 57 residues, 6574.659 Da.

Natural source:   Common Name: Snakes   Taxonomy ID: 8624   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Dendroaspis polylepis

Experimental source:   Production method: chemical synthesis

Entity Sequences (FASTA):
Mamba-1: LKCYQHGKVVTCHRDMKFCY HNTGMPFRNLKLILQGCSSS CSETENNKCCSTDRCNK

Data sets:
Data typeCount
1H chemical shifts268

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1synthetic Mamba-1 peptide1

Entities:

Entity 1, synthetic Mamba-1 peptide 57 residues - 6574.659 Da.

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

Samples:

sample_1: sodium phosphate 50 mM; H2O 90%; D2O, [U-100% 2H], 10%

sample_2: sodium phosphate 50 mM; ethanol, [U-2H], 5%; H2O 90%; D2O, [U-100% 2H], 10%

sample_3: sodium phosphate 50 mM; TFE, [U-2H], 5%; H2O 90%; D2O, [U-100% 2H], 10%

sample_conditions_1: ionic strength: 160.8 mM; pH: 6.5; pressure: 1 atm; temperature: 298 K

sample_conditions_2: ionic strength: 160.8 mM; pH: 6.5; pressure: 1 atm; temperature: 310 K

Experiments:

NameSampleSample stateSample conditions
2D DQF-COSYsample_1isotropicsample_conditions_1
2D 1H-1H TOCSYsample_1isotropicsample_conditions_1
2D 1H-1H NOESYsample_1isotropicsample_conditions_1
2D DQF-COSYsample_1isotropicsample_conditions_2
2D 1H-1H TOCSYsample_1isotropicsample_conditions_2
2D 1H-1H NOESYsample_1isotropicsample_conditions_2
2D 1H-1H TOCSYsample_2isotropicsample_conditions_2
2D 1H-1H TOCSYsample_3isotropicsample_conditions_2

Software:

VNMRJ, Varian - collection

NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing

NMRDraw, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - data analysis

SPARKY, Goddard - chemical shift assignment, data analysis

X-PLOR_NIH, Schwieters, Kuszewski, Tjandra and Clore - structure solution

Molmol, Koradi, Billeter and Wuthrich - geometry optimization

ProcheckNMR, Laskowski and MacArthur - data analysis

NMR spectrometers:

  • Varian INOVA 700 MHz
  • Varian INOVA 500 MHz

Related Database Links:

BMRB 19542
PDB
GB AFT65615
SP C0HJB0 P0DKR6 P0DKS3