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 4948

Title: 1H Chemical Shift Assignments of a-bungarotoxin/ nicotinic acetilcholine receptor mimotope complex   PubMed: 11814338

Authors: Scarselli, M.; Spiga, O.; Ciutti, A.; Bernini, A.; Bracci, L.; Lelli, B.; Lozzi, L.; Calamandrei, D.; Di Maro, D.; Klein, S.; Niccolai, N.

Citation: Scarselli, M.; Spiga, O.; Ciutti, A.; Bernini, A.; Bracci, L.; Lelli, B.; Lozzi, L.; Calamandrei, D.; Di Maro, D.; Klein, S.; Niccolai, N.. "NMR Structure of Alpha-bungarotoxin free and bound to a Mimotope of the Nicotinic Acetylcholine Receptor."  Biochemistry 41, 1457-1463 (2002).

Assembly members:
A-BUNGAROTOXIN, polymer, 74 residues, 8000 Da.
MIMOTOPE OF THE NICOTINIC ACETILCHOLINE RECEPTOR, polymer, 14 residues, Formula weight is not available

Natural source:   Common Name: many-banded krait   Taxonomy ID: 8616   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Bungarus multicinctus

Experimental source:   Production method: purified from the natural source

Entity Sequences (FASTA):
A-BUNGAROTOXIN: IVCHTTATSPISAVTCPPGE NLCYRKMWCDAFCSSRGKVV ELGCAATCPSKKPYEEVTCC STDKCNPHPKQRPG
MIMOTOPE OF THE NICOTINIC ACETILCHOLINE RECEPTOR: HRYYESSLEPWYPD

Data sets:
Data typeCount
1H chemical shifts525

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1A BUNGAROTOXIN1
2MIMOTOPE OF THE NICOTINIC ACETILCHOLINE RECEPTOR2

Entities:

Entity 1, A BUNGAROTOXIN 74 residues - 8000 Da.

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

Entity 2, MIMOTOPE OF THE NICOTINIC ACETILCHOLINE RECEPTOR 14 residues - Formula weight is not available

1   HISARGTYRTYRGLUSERSERLEUGLUPRO
2   TRPTYRPROASP

Samples:

sample_1: A-BUNGAROTOXIN 0.5 mM; MIMOTOPE OF THE NICOTINIC ACETILCHOLINE RECEPTOR 0.5 mM; H2O 90%; D2O 10%

sample_cond_1: pH: 5.67; temperature: 303 K; pressure: 1 atm

Experiments:

NameSampleSample stateSample conditions
2D NOESYsample_1not availablesample_cond_1

Software:

XWINNMR v2.1 - data collection, data processing

NMRView v4.1.1 - data analysis

DYANA v1.5 - structure solution

AMBER v4.1 - refinement

NMR spectrometers:

  • Bruker DRX 600 MHz

Related Database Links:

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