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- PDB-6r95: The solution NMR structure of cis-dicarba-brevinin-1BYa in 33% tr... -
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Open data
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Basic information
Entry | Database: PDB / ID: 6r95 | |||||||||
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Title | The solution NMR structure of cis-dicarba-brevinin-1BYa in 33% trifluoroethanol | |||||||||
![]() | Brevinin-1BYa | |||||||||
![]() | ANTIMICROBIAL PROTEIN / cationic / rana-box / antimicrobial peptide | |||||||||
Function / homology | Frog antimicrobial peptide, brevinin-1 type / Frog antimicrobial peptide / defense response to fungus / killing of cells of another organism / defense response to bacterium / extracellular region / Brevinin-1BYa![]() | |||||||||
Biological species | Rana boylii (yellow-legged frog) | |||||||||
Method | SOLUTION NMR / simulated annealing | |||||||||
![]() | Timmons, P.B. / O'Flynn, D.P. / Conlon, J.M. / Hewage, C.M. | |||||||||
![]() | ![]() Title: Insights into conformation and membrane interactions of the acyclic and dicarba-bridged brevinin-1BYa antimicrobial peptides. Authors: Timmons, P.B. / O'Flynn, D. / Conlon, J.M. / Hewage, C.M. #1: Journal: J. Pept. Res. / Year: 2003 Title: Isolation of peptides of the brevinin-1 family with potent candidacidal activity from the skin secretions of the frog Rana boylii. Authors: Conlon, J.M. / Sonnevend, A. / Patel, M. / Davidson, C. / Nielsen, P.F. / Pal, T. / Rollins-Smith, L.A. #2: Journal: Eur. Biophys. J. / Year: 2011 Title: Synthesis, conformational analysis and biological properties of a dicarba derivative of the antimicrobial peptide, brevinin-1BYa. Authors: Hossain, M.A. / Guilhaudis, L. / Sonnevend, A. / Attoub, S. / van Lierop, B.J. / Robinson, A.J. / Wade, J.D. / Conlon, J.M. | |||||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 155.5 KB | Display | ![]() |
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PDB format | ![]() | 97 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
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-Validation report
Summary document | ![]() | 432.9 KB | Display | ![]() |
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Full document | ![]() | 611.8 KB | Display | |
Data in XML | ![]() | 21.8 KB | Display | |
Data in CIF | ![]() | 29.8 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 6g4vC ![]() 6g4xC ![]() 6r96C 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: 2577.240 Da / Num. of mol.: 1 / Source method: obtained synthetically Details: AGL = allylglycine An intramolecular vinylic bond exists between the residues AGL-18 and AGL-24. Source: (synth.) Rana boylii (yellow-legged frog) / References: UniProt: P84111 |
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Has ligand of interest | Y |
-Experimental details
-Experiment
Experiment | Method: SOLUTION NMR | ||||||||||||||||||
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NMR experiment |
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Sample preparation
Details | Type: solution Contents: 1.35 mM NA- dicarba-brevinin-1BYa, trifluoroethanol/water Label: sample_1 / Solvent system: trifluoroethanol/water |
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Sample | Conc.: 1.35 mM / Component: dicarba-brevinin-1BYa / Isotopic labeling: NA- |
Sample conditions | Ionic strength: 0 Not defined / Label: conditions_1 / pH: 7.4 Not defined / Pressure: 1 atm / Temperature: 298 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: 2 | ||||||||||||
NMR representative | Selection criteria: medoid | ||||||||||||
NMR ensemble | Conformer selection criteria: target function / Conformers calculated total number: 100 / Conformers submitted total number: 20 |