+Open data
-Basic information
Entry | Database: PDB / ID: 1g92 | ||||||
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Title | SOLUTION STRUCTURE OF PONERATOXIN | ||||||
Components | PONERATOXIN | ||||||
Keywords | TOXIN / Neurotoxin / Sodium channel inhibitor | ||||||
Function / homology | host cell postsynaptic membrane / toxin activity / extracellular region / Delta-paraponeritoxin-Pc1a Function and homology information | ||||||
Method | SOLUTION NMR / simulated annealing | ||||||
Authors | Szolajska, E. / Poznanski, J. / Ferber, M.L. / Michalik, J. / Gout, E. / Fender, P. / Bailly, I. / Dublet, B. / Chroboczek, J. | ||||||
Citation | Journal: Eur.J.Biochem. / Year: 2004 Title: Poneratoxin, a neurotoxin from ant venom. Structure and expression in insect cells and construction of a bio-insecticide. Authors: Szolajska, E. / Poznanski, J. / Ferber, M.L. / Michalik, J. / Gout, E. / Fender, P. / Bailly, I. / Dublet, B. / Chroboczek, J. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 1g92.cif.gz | 86.2 KB | Display | PDBx/mmCIF format |
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PDB format | pdb1g92.ent.gz | 68.8 KB | Display | PDB format |
PDBx/mmJSON format | 1g92.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 1g92_validation.pdf.gz | 338.8 KB | Display | wwPDB validaton report |
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Full document | 1g92_full_validation.pdf.gz | 411.5 KB | Display | |
Data in XML | 1g92_validation.xml.gz | 9.9 KB | Display | |
Data in CIF | 1g92_validation.cif.gz | 13 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/g9/1g92 ftp://data.pdbj.org/pub/pdb/validation_reports/g9/1g92 | HTTPS FTP |
-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: 2759.355 Da / Num. of mol.: 1 / Source method: obtained synthetically Details: The peptide was chemically synthesized. The sequence of the peptide is naturally found in Paraponera clavata (Venon ant). References: UniProt: P41736 |
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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. 100 and 200 ms mixing time 2D-NOESY spectra were accumulated |
-Sample preparation
Details | Contents: 3 mM of C-amidated peptide / Solvent system: D2O:TFE in volumetric ratio 3:1 |
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Sample conditions | pH: 5.5 / Pressure: 1 atm / Temperature: 298 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 AMX / Manufacturer: Bruker / Model: AMX / Field strength: 600 MHz |
-Processing
NMR software |
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Refinement | Method: simulated annealing / Software ordinal: 1 Details: The structures are based on 428 NOE-derived distance restraints and 20 dihedral angle restraints. Simulated annealing in the REDAC strategy made by DYANA. Final refinement, inculding PRO ...Details: The structures are based on 428 NOE-derived distance restraints and 20 dihedral angle restraints. Simulated annealing in the REDAC strategy made by DYANA. Final refinement, inculding PRO pyrrolidine ring puckering by X-PLOR. | ||||||||||||||||||||||||||||
NMR representative | Selection criteria: lowest energy | ||||||||||||||||||||||||||||
NMR ensemble | Conformer selection criteria: target function / Conformers calculated total number: 333 / Conformers submitted total number: 10 |