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Crystal structure of the catalytic domain of TACE with Isoindolinone-biphenyl-hydantoin inhibitor

X-ray diffraction
2Å resolution
PDB entry 3lea coloured by chain, front view.
PDB entry 3lea coloured by chain, side view.
PDB entry 3lea 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
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Assembly Name: Disintegrin and metalloproteinase domain-containing protein 17
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Multimeric state: monomeric
Accessible surface area: 12399.42 Å2
Buried surface area: 0.0 Å2
Dissociation area: 0 Å2
Dissociation energy (ΔGdiss): 0 kcal/mol
Dissociation entropy (TΔSdiss): 0 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-160275
Assembly 2 (preferred)
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Assembly Name: Disintegrin and metalloproteinase domain-containing protein 17
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Multimeric state: monomeric
Accessible surface area: 12687.75 Å2
Buried surface area: 262.85 Å2
Dissociation area: 0 Å2
Dissociation energy (ΔGdiss): 0 kcal/mol
Dissociation entropy (TΔSdiss): 0 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-160275

Macromolecules

Disintegrin and metalloproteinase domain-containing protein 17
Chains: A, B
Length: 270 amino acids
Theoretical weight: 30.57 KDa
Source organism: Homo sapiens
Expression system: Trichoplusia ni
UniProt:
  • Canonical: P78536 (Residues: 215-476; Coverage: 33%)
Gene names: ADAM17, CSVP, TACE
Pfam: Metallo-peptidase family M12B Reprolysin-like
InterPro:
CATH: Collagenase (Catalytic Domain)
Disintegrin and metalloproteinase domain-containing protein 17 in PDB entry 3lea, assembly 2, front view.
Disintegrin and metalloproteinase domain-containing protein 17 in PDB entry 3lea, assembly 2, side view.
Disintegrin and metalloproteinase domain-containing protein 17 in PDB entry 3lea, assembly 2, top view.
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