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Yorodumi- PDB-1rgj: NMR STRUCTURE OF THE COMPLEX BETWEEN ALPHA-BUNGAROTOXIN AND MIMOT... -
+Open data
-Basic information
Entry | Database: PDB / ID: 1rgj | |||||||||
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Title | NMR STRUCTURE OF THE COMPLEX BETWEEN ALPHA-BUNGAROTOXIN AND MIMOTOPE OF THE NICOTINIC ACETYLCHOLINE RECEPTOR WITH ENHANCED ACTIVITY | |||||||||
Components |
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Keywords | TOXIN / NEUROTOXIN / PROTEIN-PEPTIDE COMPLEX / ALPHA-BUNGAROTOXIN / BETA-STRANDS | |||||||||
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 | |||||||||
Model type details | minimized average | |||||||||
Authors | Bernini, A. / Spiga, O. / Ciutti, A. / Scarselli, M. / Bracci, L. / Lozzi, L. / Lelli, B. / Neri, P. / Niccolai, N. | |||||||||
Citation | Journal: J.Mol.Biol. / Year: 2004 Title: NMR and MD studies on the interaction between ligand peptides and alpha-bungarotoxin. Authors: Bernini, A. / Ciutti, A. / Spiga, O. / Scarselli, M. / Klein, S. / Vannetti, S. / Bracci, L. / Lozzi, L. / Lelli, B. / Falciani, C. / Neri, P. / Niccolai, N. | |||||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 1rgj.cif.gz | 33.4 KB | Display | PDBx/mmCIF format |
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PDB format | pdb1rgj.ent.gz | 25.6 KB | Display | PDB format |
PDBx/mmJSON format | 1rgj.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/rg/1rgj ftp://data.pdbj.org/pub/pdb/validation_reports/rg/1rgj | HTTPS FTP |
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-Related structure data
Related structure data | |
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Similar 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) / Secretion: venom / References: UniProt: P60615 |
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#2: Protein/peptide | Mass: 1707.772 Da / Num. of mol.: 1 / Source method: obtained synthetically / Details: THE PEPTIDE WAS CHEMICALLY SYNTHESIZED |
-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 | Contents: 2MM ALPHA-BUNGAROTOXIN, 2MM PEPTIDE / Solvent system: 90% H2O/10% D2O |
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Sample conditions | pH: 5.6 / Pressure: AMBIENT / Temperature: 303 K |
Crystal grow | *PLUS Method: other / Details: NMR |
-NMR measurement
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M |
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Radiation wavelength | Relative weight: 1 |
NMR spectrometer | Type: Bruker DRX / Manufacturer: Bruker / Model: DRX / Field strength: 600 MHz |
-Processing
NMR software |
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Refinement | Method: distance geometry / Software ordinal: 1 | ||||||||||||||||
NMR representative | Selection criteria: minimized average structure | ||||||||||||||||
NMR ensemble | Conformer selection criteria: structures with favorable non-bond energy Conformers calculated total number: 100 / Conformers submitted total number: 1 |