+Open data
-Basic information
Entry | Database: PDB / ID: 1kfh | ||||||
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Title | Solution Structure of alpha-Bungarotoxin by NMR Spectroscopy | ||||||
Components | alpha-Bungarotoxin | ||||||
Keywords | TOXIN / alpha-bungarotoxin / long snake neurotoxin | ||||||
Function / homology | Function and homology information acetylcholine receptor inhibitor activity / ion channel regulator activity / toxin activity / extracellular region Similarity search - Function | ||||||
Biological species | Bungarus multicinctus (many-banded krait) | ||||||
Method | SOLUTION NMR / distance geometry, molecular dynamics, matrix relaxation | ||||||
Authors | Moise, L. / Piserchio, A. / Basus, V.J. / Hawrot, E. | ||||||
Citation | Journal: J.Biol.Chem. / Year: 2002 Title: NMR structural analysis of alpha-bungarotoxin and its complex with the principal alpha-neurotoxin-binding sequence on the alpha 7 subunit of a neuronal nicotinic acetylcholine receptor. Authors: Moise, L. / Piserchio, A. / Basus, V.J. / Hawrot, E. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 1kfh.cif.gz | 276.1 KB | Display | PDBx/mmCIF format |
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PDB format | pdb1kfh.ent.gz | 239.9 KB | Display | PDB format |
PDBx/mmJSON format | 1kfh.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/kf/1kfh ftp://data.pdbj.org/pub/pdb/validation_reports/kf/1kfh | HTTPS FTP |
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-Related structure data
-Links
-Assembly
Deposited unit |
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1 |
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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) Bungarus multicinctus (many-banded krait) / References: UniProt: P60615 |
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-Experimental details
-Experiment
Experiment | Method: SOLUTION NMR | ||||||||||||||||
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NMR experiment |
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NMR details | Text: This structure was determined using standard 2D homonuclear techniques. |
-Sample preparation
Details |
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Sample conditions |
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-NMR measurement
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M |
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Radiation wavelength | Relative weight: 1 |
NMR spectrometer | Type: GE GN / Manufacturer: GE / Model: GN / Field strength: 500 MHz |
-Processing
NMR software |
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Refinement | Method: distance geometry, molecular dynamics, matrix relaxation Software ordinal: 1 Details: total number of restraints used: 657, Total number of NOE restraints: 588, Total number of dihedral angle restraints: 60, Used 9 hydrogen-bond restraints | ||||||||||||||||
NMR representative | Selection criteria: fewest violations | ||||||||||||||||
NMR ensemble | Conformer selection criteria: structures with the least restraint violations,structures with the lowest energy Conformers calculated total number: 20 / Conformers submitted total number: 13 |