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 5988

Title: 1H Chemical Shift Assignments of alpha-bungarotoxin/nicotinic acetilcholine receptor mimotope complex   PubMed: 15178256

Authors: Ciutti, Arianna; Spiga, Ottavia; Bernini, Andrea; Scarselli, Maria; Bracci, Luisa; Lozzi, Luisa; Lelli, Barbara; Falciani, Chiara; Neri, Paolo; Niccolai, Neri

Citation: Bernini, Andrea; Ciutti, Arianna; Spiga, Ottavia; Scarselli, Maria; Klein, S.; Vannetti, S.; Bracci, Luisa; Lozzi, Luisa; Lelli, Barbara; Falciani, Chiara; Neri, Paolo; Niccolai, Neri. "NMR and MD studies on the interaction between ligand peptides and alpha-bungarotoxin"  J. Mol. Biol. 339, 1169-1177 (2004).

Assembly members:
alpha-bungarotoxin, polymer, 74 residues, 7994 Da.
mimotope of the nicotinic acetylcholine receptor, polymer, 13 residues, 1707 Da.

Natural source:   Common Name: cobra   Taxonomy ID: 8616   Superkingdom: Eubacteria   Kingdom: Metazoa   Genus/species: Bungarus multicinctus

Experimental source:   Production method: vendor

Entity Sequences (FASTA):
alpha-bungarotoxin: IVCHTTATSPISAVTCPPGE NLCYRKMWCDAFCSSRGKVV ELGCAATCPSKKPYEEVTCC STDKCNPHPKQRPG
mimotope of the nicotinic acetylcholine receptor: FRYYESSLEPWDD

Data sets:
Data typeCount
1H chemical shifts544

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1alpha-bungarotoxin1
2pDD receptor2

Entities:

Entity 1, alpha-bungarotoxin 74 residues - 7994 Da.

1   ILEVALCYSHISTHRTHRALATHRSERPRO
2   ILESERALAVALTHRCYSPROPROGLYGLU
3   ASNLEUCYSTYRARGLYSMETTRPCYSASP
4   ALAPHECYSSERSERARGGLYLYSVALVAL
5   GLULEUGLYCYSALAALATHRCYSPROSER
6   LYSLYSPROTYRGLUGLUVALTHRCYSCYS
7   SERTHRASPLYSCYSASNPROHISPROLYS
8   GLNARGPROGLY

Entity 2, pDD receptor 13 residues - 1707 Da.

1   PHEARGTYRTYRGLUSERSERLEUGLUPRO
2   TRPASPASP

Samples:

sample_1: alpha-bungarotoxin 0.5 mM; mimotope of the nicotinic acetylcholine receptor 0.5 mM

Ex-cond: pH: 5.7; temperature: 303 K

Experiments:

NameSampleSample stateSample conditions
1H TOCSYnot availablenot availablenot available
1H NOESYnot availablenot availablenot available

Software:

XwinNMR v2.1 - data collection, data processing

NMR spectrometers:

  • Bruker Advance 600 MHz

Related Database Links:

SWISS-PROT P60616 Q7T3J2 P60615
GenBank AAC83989 AAC83983 AAC83984 AAC83981 AAC83982
EMBL CAB51842 CAB51843 CAB50692 CAB51841 CAA63045
PDB
BMRB 5024 5025 4948 5006 15130 4195 5988