- PDB-2dcx: NMR solution structure of the Dermaseptin antimicrobial peptide a... -
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Basic information
Entry
Database: PDB / ID: 2dcx
Title
NMR solution structure of the Dermaseptin antimicrobial peptide analog NC12-K4S4(1-13)a
Components
Dermaseptin-4
Keywords
ANTIMICROBIAL PROTEIN / alpha-helix
Function / homology
defense response to fungus / killing of cells of another organism / defense response to bacterium / extracellular region / 12-AMINO-DODECANOIC ACID / Dermaseptin-S4
structures with the lowest energy, structures with the least restraint violations
Representative
Model #1
lowest energy
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Components
#1: Protein/peptide
Dermaseptin-4 / DS IV
Mass: 1513.973 Da / Num. of mol.: 1 / Fragment: residues 1-13 / Mutation: M4K / Source method: obtained synthetically Details: This is a truncated, mutated sequence of a peptide that occurs naturally in the South American tree frog, Phyllomedusa sauvagei. References: UniProt: P80280
Method: Distance Geometry, Simulated Annealing / Software ordinal: 1 Details: The structures are derived from 241 NOE constraints; 109 intraresidual; 44 i+1; 19 i+2; 39 i+3; 30 long-range.
NMR representative
Selection criteria: lowest energy
NMR ensemble
Conformer selection criteria: structures with the lowest energy, structures with the least restraint violations Conformers calculated total number: 50 / Conformers submitted total number: 15
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