[English] 日本語
![](img/lk-miru.gif)
- PDB-1ryg: Three dimensional solution structure of the R29A MUTANT of sodium... -
+
Open data
-
Basic information
Entry | Database: PDB / ID: 1ryg | ||||||
---|---|---|---|---|---|---|---|
Title | Three dimensional solution structure of the R29A 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 |
|
-
Structure visualization
Structure viewer | Molecule: ![]() ![]() |
---|
-
Downloads & links
-
Download
PDBx/mmCIF format | ![]() | 204.7 KB | Display | ![]() |
---|---|---|---|---|
PDB format | ![]() | 178 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 342.5 KB | Display | ![]() |
---|---|---|---|---|
Full document | ![]() | 451.9 KB | Display | |
Data in XML | ![]() | 11.9 KB | Display | |
Data in CIF | ![]() | 19.6 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
-
Links
-
Assembly
Deposited unit | ![]()
| |||||||||
---|---|---|---|---|---|---|---|---|---|---|
1 |
| |||||||||
NMR ensembles |
|
-
Components
#1: Protein/peptide | Mass: 3913.513 Da / Num. of mol.: 1 / Mutation: R29A / Source method: obtained synthetically / Details: synthesized using standard fmoc chemistry. / References: UniProt: P83471, UniProt: D2Y232*PLUS |
---|
-Experimental details
-Experiment
Experiment | Method: SOLUTION NMR | ||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
NMR experiment |
| ||||||||||||||||
NMR details | Text: this structure was determined using standard 2D homonuclear techniques. |
-
Sample preparation
Details | Contents: 5.0mM Solvent system: 20mM deuterium acetic acid BU, 90% H2O, 10% D2O |
---|---|
Sample conditions | Ionic strength: 20 / pH: 4.00 / Pressure: 1 atm / Temperature: 295 K |
-NMR measurement
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M |
---|---|
Radiation wavelength | Relative weight: 1 |
NMR spectrometer | Type: Bruker DRX / Manufacturer: Bruker / Model: DRX / Field strength: 500 MHz |
-
Processing
NMR software |
| |||||||||
---|---|---|---|---|---|---|---|---|---|---|
Refinement | Method: simulated annealing / Software ordinal: 1 Details: the structures are based on 366 NOE- derived distance constraints, 15 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 |