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- PDB-1ryv: Three dimensional solution structure of the K27A MUTANT of sodium... -
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Open data
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Basic information
Entry | Database: PDB / ID: 1ryv | ||||||
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Title | Three dimensional solution structure of the K27A MUTANT of sodium channels inhibitor HAINANTOXIN-IV BY 2D 1H-NMR | ||||||
![]() | Hainantoxin-IV | ||||||
![]() | TOXIN / NEUROTOXIN / INHIBITOR CYSTINE KNOT MOTIF | ||||||
Function / homology | ![]() host cell presynaptic membrane / ion channel inhibitor activity / sodium channel regulator activity / toxin activity / extracellular region Similarity search - Function | ||||||
Method | SOLUTION NMR / simulated annealing | ||||||
![]() | Li, D. / Lu, S. / Gu, X. / Liang, S. | ||||||
![]() | ![]() Title: Structure--activity relationships of hainantoxin-IV and structure determination of active and inactive sodium channel blockers Authors: Li, D. / Xiao, Y. / Xu, X. / Xiong, X. / Lu, S. / Liu, Z. / Zhu, Q. / Wang, M. / Gu, X. / Liang, S. #1: ![]() Title: Synthesis and Oxidative Refolding of Hainantoxin-Iv Authors: Liu, Z.H. / Chen, P. / 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 | ![]() | 205.4 KB | Display | ![]() |
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PDB format | ![]() | 178.7 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
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-Validation report
Summary document | ![]() | 339.7 KB | Display | ![]() |
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Full document | ![]() | 439.4 KB | Display | |
Data in XML | ![]() | 11.7 KB | Display | |
Data in CIF | ![]() | 19.5 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related 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: 3941.527 Da / Num. of mol.: 1 / Mutation: K27A / Source method: obtained synthetically / Details: synthesized using standard fmoc chemistry. / References: UniProt: P83471, UniProt: D2Y232*PLUS |
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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: 5.0mM Solvent system: 20mM deuterium acetic acid BU, 90% H2O, 10% D2O |
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Sample conditions | Ionic strength: 20 / pH: 4.00 / Pressure: 1 atm / Temperature: 295 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: simulated annealing / Software ordinal: 1 Details: the structures are based on 378 NOE-derived distance constraints, 13 dihedral angle restraints, 9 fake distance restraints from disulfide bonds and 12 hydrogen-bond constrains. | |||||||||
NMR representative | Selection criteria: lowest energy | |||||||||
NMR ensemble | Conformer selection criteria: structures with the lowest energy Conformers calculated total number: 50 / Conformers submitted total number: 20 |