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Crystal structure of BACE1 in complex with 2-aminooxazoline-3-azaxanthene inhibitor 2

X-ray diffraction
2.15Å resolution
PDB entry 5i3w coloured by chain, front view.
PDB entry 5i3w coloured by chain, side view.
PDB entry 5i3w coloured by chain, top view.
Source organism: Homo sapiens
Assembly composition:
monomeric (preferred)
Entry contents: 1 distinct polypeptide molecule

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Assemblies

Assembly 1 (preferred)
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Assembly Name: Beta-secretase 1
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Multimeric state: monomeric
Accessible surface area: 16231.31 Å2
Buried surface area: 877.78 Å2
Dissociation area: 86.07 Å2
Dissociation energy (ΔGdiss): -2.01 kcal/mol
Dissociation entropy (TΔSdiss): 1.46 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-157541

Macromolecules

Beta-secretase 1
Chain: A
Length: 411 amino acids
Theoretical weight: 45.82 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P56817 (Residues: 43-453; Coverage: 86%)
Gene names: BACE, BACE1, KIAA1149
Pfam: Eukaryotic aspartyl protease
InterPro:
CATH: Acid Proteases
Beta-secretase 1 in PDB entry 5i3w, assembly 1, front view.
Beta-secretase 1 in PDB entry 5i3w, assembly 1, side view.
Beta-secretase 1 in PDB entry 5i3w, assembly 1, top view.
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