Journal: J.Biol.Chem. / Year: 2001 Title: The solution structure of the complex formed between alpha-bungarotoxin and an 18-mer cognate peptide derived from the alpha 1 subunit of the nicotinic acetylcholine receptor from Torpedo californica. Authors: Zeng, H. / Moise, L. / Grant, M.A. / Hawrot, E.
The submitted conformer models are the 20 structures with the lowest energy from 122 acceptable structures which were from 400 total calculated structures and had no restraint violations. The best representative conformer is the lowest potential energy structure of the ensemble.
Representative
Model #9
lowest energy
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Components
#1: Protein
ALPHA-BUNGAROTOXIN / LONG NEUROTOXIN 1
Mass: 8005.281 Da / Num. of mol.: 1 / Source method: isolated from a natural source / Details: PURCHASED FROM SIGMA / Source: (natural) Bungarus multicinctus (many-banded krait) / References: UniProt: P60615
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Experimental details
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Experiment
Experiment
Method: SOLUTION NMR
NMR experiment
Conditions-ID
Experiment-ID
Solution-ID
Type
1
1
1
2D TOCSY
1
2
1
2D NOESY
NMR details
Text: The authors recommend using the Graphics program, MOLMOL, to view this ensemble of 20 structures.
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Sample preparation
Details
Contents: 2.0 mM free alpha-Bungarotoxin, 50 mM perdeuterated potassium acetate buffer (pH 4.0) with 5% D2O and 0.05% sodium azide Solvent system: 95% H2O/5% D2O
Sample conditions
Ionic strength: 29 mM / pH: 4.0 / Pressure: ambient / Temperature: 308 K
Crystal grow
*PLUS
Method: other / Details: NMR
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NMR measurement
NMR spectrometer
Type: Bruker AVANCE / Manufacturer: Bruker / Model: AVANCE / Field strength: 600 MHz
Conformer selection criteria: The submitted conformer models are the 20 structures with the lowest energy from 122 acceptable structures which were from 400 total calculated structures and had no ...Conformer selection criteria: The submitted conformer models are the 20 structures with the lowest energy from 122 acceptable structures which were from 400 total calculated structures and had no restraint violations. The best representative conformer is the lowest potential energy structure of the ensemble. Conformers calculated total number: 400 / Conformers submitted total number: 20
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