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Structure of BACE bound to SCH743813

X-ray diffraction
1.8Å resolution
PDB entry 3lnk coloured by chain, front view.
PDB entry 3lnk coloured by chain, side view.
PDB entry 3lnk 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: 16230.28 Å2
Buried surface area: 250.2 Å2
Dissociation area: 125.1 Å2
Dissociation energy (ΔGdiss): 1.17 kcal/mol
Dissociation entropy (TΔSdiss): 2.14 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-157541
Assembly 2
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Assembly Name: Beta-secretase 1
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Multimeric state: monomeric
Accessible surface area: 16060.87 Å2
Buried surface area: 245.78 Å2
Dissociation area: 122.89 Å2
Dissociation energy (ΔGdiss): 0.26 kcal/mol
Dissociation entropy (TΔSdiss): 2.13 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-157541

Macromolecules

Beta-secretase 1
Chains: A, B
Length: 395 amino acids
Theoretical weight: 44.02 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P56817 (Residues: 53-447; Coverage: 82%)
Gene names: BACE, BACE1, KIAA1149
Pfam: Eukaryotic aspartyl protease
InterPro:
CATH: Acid Proteases
Beta-secretase 1 in PDB entry 3lnk, assembly 1, front view.
Beta-secretase 1 in PDB entry 3lnk, assembly 1, side view.
Beta-secretase 1 in PDB entry 3lnk, assembly 1, top view.
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