+Open data
-Basic information
Entry | Database: PDB / ID: 2kir | ||||||
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Title | Solution structure of a designer toxin, mokatoxin-1 | ||||||
Components | Designer toxin | ||||||
Keywords | TOXIN / venom / scorpion / phage display / mokatoxin / moka1 | ||||||
Biological species | synthetic (others) | ||||||
Method | SOLUTION NMR / simulated annealing | ||||||
Model details | lowest energy, model 1 | ||||||
Authors | Biancalana, M. / Koide, A. / Takacs, Z. / Goldstein, S. / Koide, S. | ||||||
Citation | Journal: Proc.Natl.Acad.Sci.USA / Year: 2009 Title: A designer ligand specific for Kv1.3 channels from a scorpion neurotoxin-based library. Authors: Takacs, Z. / Toups, M. / Kollewe, A. / Johnson, E. / Cuello, L.G. / Driessens, G. / Biancalana, M. / Koide, A. / Ponte, C.G. / Perozo, E. / Gajewski, T.F. / Suarez-Kurtz, G. / Koide, S. / Goldstein, S.A. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 2kir.cif.gz | 237.7 KB | Display | PDBx/mmCIF format |
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PDB format | pdb2kir.ent.gz | 211 KB | Display | PDB format |
PDBx/mmJSON format | 2kir.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/ki/2kir ftp://data.pdbj.org/pub/pdb/validation_reports/ki/2kir | HTTPS FTP |
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-Related structure data
Similar structure data |
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-Links
-Assembly
Deposited unit |
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1 |
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NMR ensembles |
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-Components
#1: Protein/peptide | Mass: 3890.799 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) synthetic (others) / Production host: Escherichia coli (E. coli) |
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-Experimental details
-Experiment
Experiment | Method: SOLUTION NMR |
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NMR experiment | Type: 3D 1H-15N NOESY |
-Sample preparation
Details | Contents: 0.3 mM [U-13C; U-15N] Moka1-1, 10 mM sodium phosphate-2, 7 % D2O-3, 93% H2O/7% D2O Solvent system: 93% H2O/7% D2O | ||||||||||||||||
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Sample |
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Sample conditions | Ionic strength: 15 / pH: 6 / Pressure: ambient / Temperature: 278 K |
-NMR measurement
NMR spectrometer | Type: Varian INOVA / Manufacturer: Varian / Model: INOVA / Field strength: 600 MHz |
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-Processing
NMR software |
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Refinement | Method: simulated annealing / Software ordinal: 1 | |||||||||
NMR representative | Selection criteria: lowest energy | |||||||||
NMR ensemble | Conformer selection criteria: structures with the lowest energy Conformers calculated total number: 100 / Conformers submitted total number: 20 |