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- PDB-2m3j: Solution Structure of Marine Sponge-Derived Asteropsin E Which is... -
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Open data
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Basic information
Entry | Database: PDB / ID: 2m3j | ||||||
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Title | Solution Structure of Marine Sponge-Derived Asteropsin E Which is Highly Resistant to Gastrointestinal Proteases | ||||||
![]() | Asteropsin_E | ||||||
![]() | TOXIN / KNOTTIN / SPONGE | ||||||
Function / homology | Asteropsin A![]() | ||||||
Biological species | ![]() | ||||||
Method | SOLUTION NMR / simulated annealing | ||||||
Model details | lowest energy, model1 | ||||||
![]() | Li, H. / Jung, J.H. | ||||||
![]() | ![]() Title: Solution Structure of Marine Sponge-Derived Asteropsin E Which is Highly Resistant to Gastrointestinal Proteases Authors: Li, H. / Su, M. / Bowling, J.J. / Hamann, M.T. / Jung, J.H. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 178.8 KB | Display | ![]() |
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PDB format | ![]() | 151 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 430.1 KB | Display | ![]() |
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Full document | ![]() | 517.1 KB | Display | |
Data in XML | ![]() | 12.9 KB | Display | |
Data in CIF | ![]() | 21.1 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Similar structure data | |
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Other databases |
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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: 3547.061 Da / Num. of mol.: 1 / Source method: isolated from a natural source / Source: (natural) ![]() |
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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: 10 mg/mL Asteropsin E, methanol / Solvent system: methanol |
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Sample | Conc.: 10 mg/mL / Component: Asteropsin E-1 |
Sample conditions | pH: 7.0 / Pressure: ambient / Temperature: 298 K |
-NMR measurement
NMR spectrometer | Type: Bruker BioSpin GmbH / Manufacturer: Bruker / Model: BioSpin GmbH / Field strength: 900 MHz |
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Processing
NMR software |
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Refinement | Method: simulated annealing / Software ordinal: 1 | ||||||||||||||||||||
NMR constraints | NOE constraints total: 517 / NOE intraresidue total count: 101 / NOE long range total count: 166 / NOE medium range total count: 63 / NOE sequential total count: 187 | ||||||||||||||||||||
NMR representative | Selection criteria: lowest energy | ||||||||||||||||||||
NMR ensemble | Conformer selection criteria: structures with the lowest energy Conformers calculated total number: 200 / Conformers submitted total number: 20 |