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Fragment-based discovery of an APOE4 stabilizer

Analyse Fragment-based discovery of an APOE4 stabilizer in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 6NCO
Type: protein
Length: 141 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Apolipoprotein E
UniProt: P02649
Ligands: KQP

Structure

x-ray diffraction · 1 distinct chain · 84% helix, 0% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Apolipoprotein E	protein	141	84% helix, 0% strand	P02649

Ligands and binding sites

KQP · 1-[5-chloro-4'-(2-hydroxypropan-2-yl)[1,1'-biphenyl]-3-yl]cyclobutane-1-carboximidamide · ligand · chains A

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

Compared structures

6NCO · Fragment-based Discovery of an apoE4 Stabilizer · the same entry in another collection · chain A against A, TM-score 1.00
P02649 · AlphaFold monomer V2.0 prediction for apolipoprotein E (P02649) · a predicted model of the same protein · chain A against A, TM-score 0.96

Analyse

Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
Every structure of UniProt P02649
Elsewhere: RCSB PDB 6NCO · PDBe 6NCO · UniProt P02649

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