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Structure of quasiracemic ala-magainin 2 with a beta amino acid substitution at position 8

Analyse Structure of quasiracemic ala-magainin 2 with a beta amino acid substitution at… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5CGN
Type
protein
Length
176 residues
Chains
8
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
D-ala-magainin derivative; L-ACPC8-ala-magainin
Ligands
CL

Structure

x-ray diffraction · 2 distinct chains · 89% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B, C, DD-ala-magainin derivativeprotein2291% helix, 0% strand—
E, F, G, HL-ACPC8-ala-magaininprotein2286% helix, 0% strand—

Ligands and binding sites

  • CL · Chloride ion · ion · 2 copies · chains A

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Interfaces

9 interfaces between chains.

  • E–F · 567 Ų buried · 2 hydrogen bonds · protein-protein
  • G–H · 473 Ų buried · 2 hydrogen bonds · protein-protein
  • C–D · 420 Ų buried · 3 hydrogen bonds · protein-protein
  • A–B · 411 Ų buried · 0 hydrogen bonds · protein-protein
  • D–E · 152 Ų buried · 1 hydrogen bond · protein-protein

Modifications

Observed in the structure: 80 d-amino, 4 modified (D-amino acid, nonstandard).

Compared structures

  • 5CGN · Structure of quasiracemic Ala-Magainin 2 with a beta amino acid substitution at position 8 · the same entry in another collection · chain G against G, TM-score 1.00

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