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X-ray crystallographic structure of a beta-hairpin peptide mimic. (ORN)KLV(MEA)FAE(ORN)AIIGLMV.

Analyse X-ray crystallographic structure of a beta-hairpin peptide mimic.… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5W4J
Type
protein
Length
96 residues
Chains
6
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
A-beta 17_36 peptide: orn-lys-val-phe-mea-ala-ala-asp-orn- ala-ile-ile-gly-leu-met-val

Structure

x-ray diffraction · 1 distinct chain · 0% helix, 69% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B, C, D, E, FA-beta 17_36 peptide: orn-lys-val-phe-mea-ala-ala-asp-orn- ala-ile-ile-gly-leu-met-valprotein160% helix, 69% strand—

Interfaces

9 interfaces between chains.

  • E–F · 331 Ų buried · 7 hydrogen bonds · protein-protein
  • A–D · 308 Ų buried · 0 hydrogen bonds · protein-protein
  • B–C · 301 Ų buried · 5 hydrogen bonds · protein-protein
  • B–E · 287 Ų buried · 0 hydrogen bonds · protein-protein
  • C–F · 258 Ų buried · 0 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 18 modified (nonstandard).

Compared structures

  • 5W4J · X-ray crystallographic structure of a beta-hairpin peptide mimic.… · the same entry in another collection · chain A against A, TM-score 1.00

Analyse

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