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Crystal structure of qklvffaed nonapeptide segment from amyloid beta incorporated into a macrocyclic beta-sheet template

Analyse Crystal structure of qklvffaed nonapeptide segment from amyloid beta… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
4IVH
Type
protein
Length
13 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
CYCLO[GLN-lys-leu-val-phe-phe-ala-glu-asp-(delta-linked…
Ligands
HAO, 4BF, NA

Structure

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

ChainMoleculeTypeResiduesSecondary structureUniProt
ACYCLO[GLN-lys-leu-val-phe-phe-ala-glu-asp-(delta-linked- orn)-hao-lys-hao-(P-bromophe)-thr-(delta-linked-orn)]protein130% helix, 0% strand—

Ligands and binding sites

  • HAO · {[3-(hydrazinocarbonyl)-4-methoxyphenyl]amino}(oxo) acetic acid · ligand · 2 copies · chains A
  • 4BF · 4-bromo-L-phenylalanine · ligand · chains A
  • NA · Sodium ion · metal
  • TBU · Tertiary-butyl alcohol · additive · chains A

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

Modifications

Observed in the structure: 4 covalent, 2 modified (covalent ligand, nonstandard).

Compared structures

  • 4IVH · Crystal structure of QKLVFFAED nonapeptide segment from amyloid beta incorporated into a… · the same entry in another collection · chain A against A, TM-score 1.00

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