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Yorodumi- PDB-2jtb: Three dimensional solution structure of hainantoxin-III by 2D 1H-NMR -
+Open data
-Basic information
Entry | Database: PDB / ID: 2jtb | ||||||
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Title | Three dimensional solution structure of hainantoxin-III by 2D 1H-NMR | ||||||
Components | Hainantoxin-3 | ||||||
Keywords | TOXIN / hainantoxin-III / spider toxin / Amidation / Ionic channel inhibitor / Knottin / Neurotoxin / Presynaptic neurotoxin / Secreted / Sodium channel inhibitor | ||||||
Function / homology | Function and homology information ion channel inhibitor activity / : / toxin activity / extracellular region Similarity search - Function | ||||||
Biological species | Ornithoctonus hainana (spider) | ||||||
Method | SOLUTION NMR / simulated annealing, distance geometry | ||||||
Authors | Zhu, Q. / Liu, Z. / Liang, S. | ||||||
Citation | Journal: To be Published Title: Three dimensional solution structure of hainantoxin-III by 2D 1H-NMR Authors: Zhu, Q. / Liu, Z. / Liang, S. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 2jtb.cif.gz | 185.7 KB | Display | PDBx/mmCIF format |
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PDB format | pdb2jtb.ent.gz | 161.6 KB | Display | PDB format |
PDBx/mmJSON format | 2jtb.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 2jtb_validation.pdf.gz | 335.8 KB | Display | wwPDB validaton report |
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Full document | 2jtb_full_validation.pdf.gz | 462.4 KB | Display | |
Data in XML | 2jtb_validation.xml.gz | 11 KB | Display | |
Data in CIF | 2jtb_validation.cif.gz | 18.1 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/jt/2jtb ftp://data.pdbj.org/pub/pdb/validation_reports/jt/2jtb | 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: 3621.197 Da / Num. of mol.: 1 / Source method: isolated from a natural source / Source: (natural) Ornithoctonus hainana (spider) / References: UniProt: P83464, UniProt: D2Y1X9*PLUS |
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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: 5 mM entity_2, 25 mM [U-99% 2H] sodium acetate, 95% H2O/5% D2O Solvent system: 95% H2O/5% D2O | ||||||||||||
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Sample |
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Sample conditions | Ionic strength: 25 / pH: 4 / Pressure: ambient / Temperature: 298 K |
-NMR measurement
NMR spectrometer | Type: Bruker AMX / Manufacturer: Bruker / Model: AMX / Field strength: 500 MHz |
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-Processing
NMR software | Name: X-PLOR / Classification: refinement |
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Refinement | Method: simulated annealing, distance geometry / Software ordinal: 1 |
NMR representative | Selection criteria: closest to the average |
NMR ensemble | Conformer selection criteria: structures with the lowest energy Conformers calculated total number: 50 / Conformers submitted total number: 20 |