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Crystal structure of the ACVR1 kinase in complex with a 2-aminopyridine inhibitor

X-ray diffraction
2.15Å resolution
PDB entry 3mtf coloured by chain, front view.
PDB entry 3mtf coloured by chain, side view.
PDB entry 3mtf 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: Activin receptor type-1
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Multimeric state: monomeric
Accessible surface area: 13595.15 Å2
Buried surface area: 2836.2 Å2
Dissociation area: 116.65 Å2
Dissociation energy (ΔGdiss): -2.23 kcal/mol
Dissociation entropy (TΔSdiss): -0.26 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-170070
Assembly 2 (preferred)
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Assembly Name: Activin receptor type-1
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Multimeric state: monomeric
Accessible surface area: 13633.37 Å2
Buried surface area: 2279.49 Å2
Dissociation area: 87.49 Å2
Dissociation energy (ΔGdiss): -3.39 kcal/mol
Dissociation entropy (TΔSdiss): -0.35 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-170070

Macromolecules

Activin receptor type-1
Chains: A, B
Length: 301 amino acids
Theoretical weight: 34.54 KDa
Source organism: Homo sapiens
Expression system: Spodoptera frugiperda
UniProt:
  • Canonical: Q04771 (Residues: 201-499; Coverage: 61%)
Gene names: ACVR1, ACVRLK2
Pfam: Protein tyrosine and serine/threonine kinase
InterPro:
CATH:
Activin receptor type-1 in PDB entry 3mtf, assembly 2, front view.
Activin receptor type-1 in PDB entry 3mtf, assembly 2, side view.
Activin receptor type-1 in PDB entry 3mtf, assembly 2, top view.
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