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- PDB-1mb6: Three dimensional solution structure of huwentoxin-IV by 2D 1H-NMR -
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Open data
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Basic information
Entry | Database: PDB / ID: 1mb6 | ||||||
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Title | Three dimensional solution structure of huwentoxin-IV by 2D 1H-NMR | ||||||
![]() | huwentoxin-iv | ||||||
![]() | TOXIN / containing a double-stranded beta-sheet and four beta-turns | ||||||
Function / homology | ![]() host cell presynaptic membrane / ion channel inhibitor activity / sodium channel regulator activity / toxin activity / extracellular region Similarity search - Function | ||||||
Biological species | ![]() | ||||||
Method | SOLUTION NMR / simulated annealing | ||||||
![]() | Peng, K. / Shu, Q. / Liang, S.P. | ||||||
![]() | ![]() Title: Function and solution structure of huwentoxin-IV, a potent neuronal tetrodotoxin (TTX)-sensitive sodium channel antagonist from Chinese bird spider Selenocosmia huwena Authors: Peng, K. / Shu, Q. / Liu, Z. / Liang, S.P. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 217.7 KB | Display | ![]() |
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PDB format | ![]() | 189.9 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 344 KB | Display | ![]() |
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Full document | ![]() | 456.6 KB | Display | |
Data in XML | ![]() | 12.1 KB | Display | |
Data in CIF | ![]() | 19.8 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Similar structure data |
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Links
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Assembly
Deposited unit | ![]()
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NMR ensembles |
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Components
#1: Protein/peptide | Mass: 4120.865 Da / Num. of mol.: 1 / Source method: isolated from a natural source Source: (natural) ![]() Secretion: venom / References: UniProt: P83303 |
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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. |
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Sample preparation
Details | Contents: 5MM HUWENTOXIN-IV MMOL/L PHOSPHATE BUFFER; 90%H2O, 10%D2O Solvent system: 90% H2O/10% D2O |
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Sample conditions | Ionic strength: 20 / pH: 4.50 / Pressure: 1 atm / Temperature: 300.00 K |
Crystal grow | *PLUS Method: other / Details: NMR |
-NMR measurement
NMR spectrometer | Type: Bruker DMX / Manufacturer: Bruker / Model: DMX / Field strength: 500 MHz |
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Processing
NMR software |
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Refinement | Method: simulated annealing / Software ordinal: 1 Details: THE STRUCTURES ARE BASED ON 527 NOE-DERIVED DISTANCE CONSTRAINTS, 14 DIHEDRAL ANGEL RESTRAINTS AND 9 FAKE DISTANCE RESTRAINTS FROM DISULFIDE BONDS. | ||||||||||||
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 |