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 5097

Title: 1H Chemical Shift Assignments for Bucandin

Authors: Torres, A.; Kini, R.; Selvanayagam, N.; Kuchel, P.

Citation: Torres, A.; Kini, R.; Selvanayagam, N.; Kuchel, P.. "NMR structure of bucandin, a neurotoxin from the venom of the Malayan krait (Bungarus candidus)"  Biochem. J. 360, 539-548 (2001).

Assembly members:
bucandin, polymer, 63 residues, 7275.43 Da.

Natural source:   Common Name: Bungarus candidus   Taxonomy ID: 92438   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Bungarus candidus

Experimental source:   Production method: vendor

Entity Sequences (FASTA):
bucandin: MECYRCGVSGCHLKITCSAE ETFCYKWLNKISNERWLGCA KTCTEIDTWNVYNKCCTTNL CNT

Data sets:
Data typeCount
1H chemical shifts412

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1bucandin1

Entities:

Entity 1, bucandin 63 residues - 7275.43 Da.

1   METGLUCYSTYRARGCYSGLYVALSERGLY
2   CYSHISLEULYSILETHRCYSSERALAGLU
3   GLUTHRPHECYSTYRLYSTRPLEUASNLYS
4   ILESERASNGLUARGTRPLEUGLYCYSALA
5   LYSTHRCYSTHRGLUILEASPTHRTRPASN
6   VALTYRASNLYSCYSCYSTHRTHRASNLEU
7   CYSASNTHR

Samples:

sample_1: bucandin 1.7 mM

sample_cond_1: pH: 3.0; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D NOESYnot availablenot availablenot available
2D TOCSYnot availablenot availablenot available
2D DQF-COSYnot availablenot availablenot available
2D ECOSYnot availablenot availablenot available

Software:

xwinnmr v2.6 - processing

XEASY v1.3.13 - data analysis

INFIT - data analysis

NOAH - structure solution

DYANA v1.5 - structure solution

X-PLOR v3.843 - structure solution

NMR spectrometers:

  • Bruker AVANCE 600 MHz

Related Database Links:

PDB
SP P81782