+Open data
-Basic information
Entry | Database: PDB / ID: 1ik8 | ||||||
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Title | NMR structure of Alpha-Bungarotoxin | ||||||
Components | LONG NEUROTOXIN 1 | ||||||
Keywords | TOXIN / alpha-bungarotoxin / nicotinic-acetilcholine receptor | ||||||
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, simulated annealing, molecular dynamics | ||||||
Model type details | minimized average | ||||||
Authors | Niccolai, N. / Ciutti, A. / Spiga, O. | ||||||
Citation | Journal: Biochemistry / Year: 2002 Title: NMR structure of alpha-bungarotoxin free and bound to a mimotope of the nicotinic acetylcholine receptor. Authors: Scarselli, M. / Spiga, O. / Ciutti, A. / Bernini, A. / Bracci, L. / Lelli, B. / Lozzi, L. / Calamandrei, D. / Di Maro, D. / Klein, S. / Niccolai, N. #1: Journal: FEBS Lett. / Year: 2002 Title: Peptide-protein interactions studied by surface plasmon and nuclear magnetic resonances Authors: Spiga, O. / Bernini, A. / Scarselli, M. / Ciutti, A. / Bracci, L. / Lozzi, L. / Lelli, B. / Di Maro, D. / Calamandrei, D. / Niccolai, N. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 1ik8.cif.gz | 18.7 KB | Display | PDBx/mmCIF format |
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PDB format | pdb1ik8.ent.gz | 13.5 KB | Display | PDB format |
PDBx/mmJSON format | 1ik8.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 1ik8_validation.pdf.gz | 249 KB | Display | wwPDB validaton report |
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Full document | 1ik8_full_validation.pdf.gz | 248.7 KB | Display | |
Data in XML | 1ik8_validation.xml.gz | 7 KB | Display | |
Data in CIF | 1ik8_validation.cif.gz | 8.7 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/ik/1ik8 ftp://data.pdbj.org/pub/pdb/validation_reports/ik/1ik8 | HTTPS FTP |
-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 | Contents: 0.5mM alpha-bungarotoxin; 90% H2O, 10% D2O / Solvent system: 90% H2O/10% D2O |
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Sample conditions | pH: 5.67 / Temperature: 303 K |
Crystal grow | *PLUS Method: other / Details: NMR |
-NMR measurement
NMR spectrometer | Type: Bruker AVANCE / Manufacturer: Bruker / Model: AVANCE / Field strength: 600 MHz |
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-Processing
NMR software |
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Refinement | Method: distance geometry, simulated annealing, molecular dynamics Software ordinal: 1 Details: the structures are based on a total of 1096 restraints | ||||||||||||||||||||||||
NMR representative | Selection criteria: minimized average structure | ||||||||||||||||||||||||
NMR ensemble | Conformer selection criteria: minimized average structure / Conformers calculated total number: 100 / Conformers submitted total number: 1 |