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Crystal structure of the BRAF:MEK1 kinases in complex with AMPPNP and Selumetinib

X-ray diffraction
3.19Å resolution
PDB entry 7m0t coloured by chain, front view.
PDB entry 7m0t coloured by chain, side view.
PDB entry 7m0t coloured by chain, top view.
Source organism: Homo sapiens
Assembly composition:
hetero dimer (preferred)
Entry contents: 2 distinct polypeptide molecules

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Assemblies

Assembly 1 (preferred)
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Assembly Name: Serine/threonine-protein kinase B-raf and Dual specificity mitogen-activated protein kinase kinase 1
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Multimeric state: hetero dimer
Accessible surface area: 25652.38 Å2
Buried surface area: 4598.93 Å2
Dissociation area: 1,289.63 Å2
Dissociation energy (ΔGdiss): 1.06 kcal/mol
Dissociation entropy (TΔSdiss): 13.19 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-147197

Macromolecules

Dual specificity mitogen-activated protein kinase kinase 1
Chain: B
Length: 397 amino acids
Theoretical weight: 43.79 KDa
Source organism: Homo sapiens
Expression system: Spodoptera frugiperda
UniProt:
  • Canonical: Q02750 (Residues: 1-393; Coverage: 100%)
Gene names: MAP2K1, MEK1, PRKMK1
Pfam: Protein kinase domain
InterPro:
Dual specificity mitogen-activated protein kinase kinase 1 in PDB entry 7m0t, assembly 1, front view.
Dual specificity mitogen-activated protein kinase kinase 1 in PDB entry 7m0t, assembly 1, side view.
Dual specificity mitogen-activated protein kinase kinase 1 in PDB entry 7m0t, assembly 1, top view.
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Serine/threonine-protein kinase B-raf
Chain: A
Length: 283 amino acids
Theoretical weight: 32.1 KDa
Source organism: Homo sapiens
Expression system: Spodoptera frugiperda
UniProt:
  • Canonical: P15056 (Residues: 445-723; Coverage: 36%)
Gene names: BRAF, BRAF1, RAFB1
Pfam: Protein tyrosine and serine/threonine kinase
InterPro:
Serine/threonine-protein kinase B-raf in PDB entry 7m0t, assembly 1, front view.
Serine/threonine-protein kinase B-raf in PDB entry 7m0t, assembly 1, side view.
Serine/threonine-protein kinase B-raf in PDB entry 7m0t, assembly 1, top view.
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