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- PDB-2mcv: Solid-state NMR structure of piscidin 1 in aligned 1:1 phosphatid... -
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Open data
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Basic information
Entry | Database: PDB / ID: 2mcv | ||||||
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Title | Solid-state NMR structure of piscidin 1 in aligned 1:1 phosphatidylethanolamine/phosphoglycerol lipid bilayers | ||||||
![]() | Moronecidin | ||||||
![]() | ![]() ![]() ![]() ![]() ![]() | ||||||
Function / homology | ![]() ![]() ![]() | ||||||
Biological species | ![]() ![]() | ||||||
Method | SOLID-STATE NMR / ![]() | ||||||
Model details | lowest energy, model1 | ||||||
![]() | Fu, R. / Tian, Y. / Perrin Jr., B.S. / Grant, C.V. / Hayden, R.M. / Pastor, R.W. / Cotten, M.L. | ||||||
![]() | ![]() Title: High-resolution structures and orientations of antimicrobial peptides piscidin 1 and piscidin 3 in fluid bilayers reveal tilting, kinking, and bilayer immersion. Authors: Perrin, B.S. / Tian, Y. / Fu, R. / Grant, C.V. / Chekmenev, E.Y. / Wieczorek, W.E. / Dao, A.E. / Hayden, R.M. / Burzynski, C.M. / Venable, R.M. / Sharma, M. / Opella, S.J. / Pastor, R.W. / Cotten, M.L. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 75.9 KB | Display | ![]() |
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PDB format | ![]() | 54.6 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Arichive directory | ![]() ![]() | HTTPS FTP |
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-Related structure data
Related structure data | ![]() 2mcuC ![]() 2mcwC ![]() 2mcxC C: citing same article ( |
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Similar structure data | |
Other databases |
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Links
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Assembly
Deposited unit | ![]()
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1 |
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NMR ensembles |
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Components
#1: Protein/peptide | Mass: 2577.085 Da / Num. of mol.: 1 / Source method: obtained synthetically / Details: Synthetic construct / Source: (synth.) ![]() ![]() |
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-Experimental details
-Experiment
Experiment | Method: SOLID-STATE NMR |
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NMR experiment | Type![]() |
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Sample preparation
Details | Contents: 15-20 MM PISCIDIN 1, 300-400 MM 1:1 (MOLAR) 1-PALMITOYL-2-OLEOYL-SN-GLYCERO-PHOSPHATIDYLETHANOLAMINE/1-PALMITOYL-2-OLEOYL-SN-GLYCERO-PHOSPHOGLYCEROL, 40 MM PHOSPHATE BUFFER WITH 100% H2O Solvent system: 100% H2O |
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Sample conditions | pH: 6.0 / Pressure: ambient / Temperature: 305 K |
-NMR measurement
NMR spectrometer |
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Processing
NMR software |
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Refinement | Method: ![]() Details: Structures were calculated using a simulated annealing protocol within Xplor-NIH with torsion angle molecular dynamics in the presence of experimentally determined restraints. Solid-state ...Details: Structures were calculated using a simulated annealing protocol within Xplor-NIH with torsion angle molecular dynamics in the presence of experimentally determined restraints. Solid-state NMR experiments on static oriented lipid bilayer samples allowed for the measurements of anisotropic backbone 15N chemical shifts and 15N-1H dipolar couplings, which were used as the experimental restraints. The initial structure was an alpha helix with ideal phi/psi angles (-61/-45). The calculations also included the Xplor-NIH potential for knowledge-based torsion angles and the routine terms ANGL, BOND and IMPR. A total of 100 structures were generated and the 10 lowest energy structures were accepted for analysis and representation. By convention, the bilayer normal for all of the oriented samples is aligned along the z-axis of the calculated structures. | |||||||||
NMR representative | Selection criteria: lowest energy | |||||||||
NMR ensemble | Conformer selection criteria: structures with the lowest energy Conformers calculated total number: 100 / Conformers submitted total number: 10 |