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Open data
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Basic information
Entry | Database: PDB / ID: 2jq0 | ||||||
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Title | Phylloseptin-1 | ||||||
![]() | Phylloseptin-1 | ||||||
![]() | ANTIMICROBIAL PROTEIN / alpha-helix / amphipathic character / C-Terminal Carboxyamidation | ||||||
Function / homology | defense response to bacterium / extracellular region / Phylloseptin-H1![]() | ||||||
Method | SOLUTION NMR / simulated annealing | ||||||
![]() | Resende, J.M. / Mendonca Moraes, C. / Almeida, F.C.L. / Prates, M.V. / Cesar, A. / Valente, A. / Bemquerer, M.P. / Pilo-Veloso, D. / Bechinger, B. | ||||||
![]() | ![]() Title: Solution NMR structures of the antimicrobial peptides phylloseptin-1, -2, and -3 and biological activity: The role of charges and hydrogen bonding interactions in stabilizing helix conformations Authors: Resende, J.M. / Moraes, C.M. / Prates, M.V. / Cesar, A. / Almeida, F.C. / Mundim, N.C. / Valente, A.P. / Bemquerer, M.P. / Pilo-Veloso, D. / Bechinger, B. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 58.4 KB | Display | ![]() |
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PDB format | ![]() | 39.4 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 346.5 KB | Display | ![]() |
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Full document | ![]() | 397.2 KB | Display | |
Data in XML | ![]() | 6.2 KB | Display | |
Data in CIF | ![]() | 8.5 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: 2017.377 Da / Num. of mol.: 1 / Source method: obtained synthetically Details: The peptide was synthesized by solid-phase synthesis using Fmoc chemistry. The peptide is an antimicrobial peptide that is naturally found from the skin secretion of Phyllomedusa ...Details: The peptide was synthesized by solid-phase synthesis using Fmoc chemistry. The peptide is an antimicrobial peptide that is naturally found from the skin secretion of Phyllomedusa hypochondrialis (Orange-legged leaf frog), a frog species found in Brazilian southeast Atlantic Forest. References: UniProt: P84566 |
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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: 4.0 mM Phylloseptin-1, trifluoroethanol/water (60%/40%) Solvent system: trifluoroethanol/water (60%/40%) |
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Sample | Conc.: 4.0 mM / Component: Phylloseptin-1 |
Sample conditions | pH: 7.0 / Pressure: ambient / Temperature: 293 K |
-NMR measurement
NMR spectrometer | Type: Bruker Avance DRX / Manufacturer: Bruker / Model: AVANCE DRX / Field strength: 600 MHz |
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Processing
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Refinement | Method: simulated annealing / Software ordinal: 1 | ||||||||||||||||||||||||||||||||||||||||
NMR constraints | NOE constraints total: 197 / NOE intraresidue total count: 116 / NOE medium range total count: 34 / NOE sequential total count: 47 | ||||||||||||||||||||||||||||||||||||||||
NMR representative | Selection criteria: closest to the average | ||||||||||||||||||||||||||||||||||||||||
NMR ensemble | Conformer selection criteria: structures with the lowest energy Conformers calculated total number: 200 / Conformers submitted total number: 10 |