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Fragment-Based Discovery of a Novel Bruton's Tyrosine Kinase Inhibitor

X-ray diffraction
1.55Å resolution
PDB entry 7n5r coloured by chain, front view.
PDB entry 7n5r coloured by chain, side view.
PDB entry 7n5r 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: Tyrosine-protein kinase BTK
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Multimeric state: monomeric
Accessible surface area: 13674.93 Å2
Buried surface area: 553.2 Å2
Dissociation area: 119.99 Å2
Dissociation energy (ΔGdiss): -2.52 kcal/mol
Dissociation entropy (TΔSdiss): -0.32 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-170299

Macromolecules

Tyrosine-protein kinase BTK
Chain: A
Length: 283 amino acids
Theoretical weight: 32.69 KDa
Source organism: Homo sapiens
Expression system: unidentified baculovirus
UniProt:
  • Canonical: Q06187 (Residues: 382-659; Coverage: 42%)
Gene names: AGMX1, ATK, BPK, BTK
Pfam: Protein tyrosine and serine/threonine kinase
InterPro:
Tyrosine-protein kinase BTK in PDB entry 7n5r, assembly 1, front view.
Tyrosine-protein kinase BTK in PDB entry 7n5r, assembly 1, side view.
Tyrosine-protein kinase BTK in PDB entry 7n5r, assembly 1, top view.
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