Structure analysis

Scaffold Focused Virtual Screening: Prospective Application to the Discovery of TTK Inhibitor

X-ray diffraction
2.7Å resolution
Source organism: Homo sapiens
Assembly composition:
monomeric (preferred)
Entry contents: 1 distinct polypeptide molecule

Assemblies

Assembly 1 (preferred)
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Multimeric state: monomeric
Accessible surface area: 12100 Å2
Buried surface area: 2800 Å2
Dissociation area: 200 Å2
Dissociation energy (ΔGdiss): -8 kcal/mol
Dissociation entropy (TΔSdiss): 4 kcal/mol
Interface energy (ΔGint): 13 kcal/mol
Symmetry number: 1

Macromolecules

Chain: A
Length: 313 amino acids
Theoretical weight: 36.12 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P33981 (Residues: 519-808; Coverage: 34%)
Gene names: MPS1, MPS1L1, TTK
Pfam: Protein kinase domain
InterPro:
CATH:

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