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- PDB-2btx: SOLUTION NMR STRUCTURE OF THE COMPLEX OF ALPHA-BUNGAROTOXIN WITH ... -
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Open data
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Basic information
Entry | Database: PDB / ID: 2btx | ||||||
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Title | SOLUTION NMR STRUCTURE OF THE COMPLEX OF ALPHA-BUNGAROTOXIN WITH A LIBRARY DERIVED PEPTIDE, NMR, MINIMIZED AVERAGE STRUCTURE | ||||||
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![]() | COMPLEX (TOXIN/PEPTIDE) / COMPLEX (TOXIN-PEPTIDE) / ALPHA-BUNGAROTOXIN / LIBRARY PEPTIDE / COMPLEX (TOXIN-PEPTIDE) complex | ||||||
Function / homology | ![]() acetylcholine receptor inhibitor activity / ion channel regulator activity / toxin activity / extracellular region Similarity search - Function | ||||||
Biological species | ![]() | ||||||
Method | SOLUTION NMR / DISTANCE GEOMETRY, DYNAMICAL SIMMULATED ANNEALING | ||||||
![]() | Scherf, T. / Balass, M. / Fuchs, S. / Katchalski-Katzir, E. / Anglister, J. | ||||||
![]() | ![]() Title: Three-dimensional solution structure of the complex of alpha-bungarotoxin with a library-derived peptide. Authors: Scherf, T. / Balass, M. / Fuchs, S. / Katchalski-Katzir, E. / Anglister, J. #1: ![]() Title: The Alpha-Bungarotoxin Binding Site on the Nicotinic Acetylcholine Receptor: Analysis Using a Phage-Epitope Library Authors: Balass, M. / Katchalski-Katzir, E. / Fuchs, S. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 35.4 KB | Display | ![]() |
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PDB format | ![]() | 28.3 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 246.6 KB | Display | ![]() |
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Full document | ![]() | 246.3 KB | Display | |
Data in XML | ![]() | 4.6 KB | Display | |
Data in CIF | ![]() | 5.7 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
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Links
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Assembly
Deposited unit | ![]()
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NMR ensembles |
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Components
#1: Protein | Mass: 8005.281 Da / Num. of mol.: 1 / Source method: isolated from a natural source / Source: (natural) ![]() |
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#2: Protein/peptide | Mass: 1640.814 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source |
-Experimental details
-Experiment
Experiment | Method: SOLUTION NMR | ||||||||||||||||||||
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NMR experiment |
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NMR details | Text: THE STRUCTURE WAS DETERMINED USING 2D 1H-NMR |
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Sample preparation
Sample conditions | pH: 5.8 / Temperature: 303 K |
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Crystal grow | *PLUS Method: other / Details: NMR |
-NMR measurement
NMR spectrometer |
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Processing
Software |
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NMR software |
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Refinement | Method: DISTANCE GEOMETRY, DYNAMICAL SIMMULATED ANNEALING / Software ordinal: 1 Details: DETAILS OF THE STRUCTURE DETERMINATION AND ALL STRUCTURAL STATISTICS ARE GIVEN IN THE PAPER CITED ON *JRNL* RECORDS ABOVE. THE STRUCTURE IS BASED ON 941 INTRAMOLECULAR CONSTRAINTS WITHIN THE ...Details: DETAILS OF THE STRUCTURE DETERMINATION AND ALL STRUCTURAL STATISTICS ARE GIVEN IN THE PAPER CITED ON *JRNL* RECORDS ABOVE. THE STRUCTURE IS BASED ON 941 INTRAMOLECULAR CONSTRAINTS WITHIN THE BOUND TOXIN (INCLUDING 291 LONG-RANGE INTERACTIONS), 98 INTRAPEPTIDE INTERACTIONS (INCLUDING 7 LONG-RANGE INTERACTIONS), AND 62 INTERMOLECULAR CONSTRAINTS BETWEEN THE BUNGAROTOXIN AND THE 13-RESIDUE PEPTIDE USED IN THIS STUDY (LISTED HERE AS RESIDUES 75 B - 87 B). | ||||||||||||
NMR ensemble | Conformer selection criteria: MINIMIZED AVERAGE STRUCTURE / Conformers calculated total number: 20 / Conformers submitted total number: 1 |