+Open data
-Basic information
Entry | Database: PDB / ID: 2kgh | ||||||
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Title | Solution structure of Brachyperma ruhnaui toxin 2 | ||||||
Components | Venom peptide 2 | ||||||
Keywords | TOXIN / insecticidal peptides / Disulfide bond / Neurotoxin / Secreted | ||||||
Function / homology | Huwentoxin-II family / Huwentoxin-II family / Huwentoxin-2 family signature. / : / toxin activity / extracellular region / Omega-theraphotoxin-Ba1b Function and homology information | ||||||
Biological species | Brachypelma ruhnaui (spider) | ||||||
Method | SOLUTION NMR / torsion angle dynamics | ||||||
Authors | Corzo, G. / Bernard, C. / Clement, H. / Bosmans, F. / Tygat, J. / Possani, L.D. / Darbon, H. / Alagon, A. | ||||||
Citation | Journal: Biochim.Biophys.Acta / Year: 2009 Title: Insecticidal peptides from the theraposid spider Brachypelma albiceps: an NMR-based model of Ba2. Authors: Corzo, G. / Bernard, C. / Clement, H. / Villegas, E. / Bosmans, F. / Tytgat, J. / Possani, L.D. / Darbon, H. / Alagon, A. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 2kgh.cif.gz | 287.9 KB | Display | PDBx/mmCIF format |
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PDB format | pdb2kgh.ent.gz | 253 KB | Display | PDB format |
PDBx/mmJSON format | 2kgh.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 2kgh_validation.pdf.gz | 340 KB | Display | wwPDB validaton report |
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Full document | 2kgh_full_validation.pdf.gz | 458.8 KB | Display | |
Data in XML | 2kgh_validation.xml.gz | 15.7 KB | Display | |
Data in CIF | 2kgh_validation.cif.gz | 25.7 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/kg/2kgh ftp://data.pdbj.org/pub/pdb/validation_reports/kg/2kgh | HTTPS FTP |
-Related structure data
Similar structure data | |
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Other databases |
-Links
-Assembly
Deposited unit |
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1 |
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NMR ensembles |
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-Components
#1: Protein/peptide | Mass: 4457.545 Da / Num. of mol.: 1 / Source method: isolated from a natural source / Source: (natural) Brachypelma ruhnaui (spider) / References: UniProt: P85504 |
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-Experimental details
-Experiment
Experiment | Method: SOLUTION NMR | ||||||||||||
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NMR experiment |
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-Sample preparation
Details | Contents: 1 mM protein-1, 90% H2O/10% D2O / Solvent system: 90% H2O/10% D2O |
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Sample | Conc.: 1 mM / Component: protein-1 |
Sample conditions | pH: 3 / Pressure: ambient / Temperature: 290 K |
-NMR measurement
NMR spectrometer | Type: Bruker DRX / Manufacturer: Bruker / Model: DRX / Field strength: 500 MHz |
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-Processing
NMR software |
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Refinement | Method: torsion angle dynamics / Software ordinal: 1 | ||||||||||||
NMR representative | Selection criteria: closest to the average | ||||||||||||
NMR ensemble | Conformer selection criteria: structures with acceptable covalent geometry Conformers calculated total number: 40 / Conformers submitted total number: 20 / Representative conformer: 1 |