Structure analysis

Protein kinase MK2 in complex with an inhibitor (crystal form-2, co- crystallization)

X-ray diffraction
3.31Å 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: 15041.67 Å2
Buried surface area: 747.08 Å2
Dissociation area: 373.54 Å2
Dissociation energy (ΔGdiss): -8.1 kcal/mol
Dissociation entropy (TΔSdiss): 4.57 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-155865
Assembly 10
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Multimeric state: monomeric
Accessible surface area: 12295.89 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-155865
Assembly 11
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Multimeric state: monomeric
Accessible surface area: 13490.96 Å2
Buried surface area: 701.16 Å2
Dissociation area: 350.58 Å2
Dissociation energy (ΔGdiss): -8.25 kcal/mol
Dissociation entropy (TΔSdiss): 4.56 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-155865
Assembly 12
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Multimeric state: monomeric
Accessible surface area: 14318.27 Å2
Buried surface area: 731.3 Å2
Dissociation area: 365.65 Å2
Dissociation energy (ΔGdiss): -7.97 kcal/mol
Dissociation entropy (TΔSdiss): 4.56 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-155865
Assembly 2
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Multimeric state: monomeric
Accessible surface area: 15777.34 Å2
Buried surface area: 720.27 Å2
Dissociation area: 360.14 Å2
Dissociation energy (ΔGdiss): -8.01 kcal/mol
Dissociation entropy (TΔSdiss): 4.56 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-155865
Assembly 3
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Multimeric state: monomeric
Accessible surface area: 15315.29 Å2
Buried surface area: 742.55 Å2
Dissociation area: 371.27 Å2
Dissociation energy (ΔGdiss): -7.5 kcal/mol
Dissociation entropy (TΔSdiss): 4.57 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-155865
Assembly 4
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Multimeric state: monomeric
Accessible surface area: 15293.48 Å2
Buried surface area: 730.71 Å2
Dissociation area: 365.35 Å2
Dissociation energy (ΔGdiss): -7.65 kcal/mol
Dissociation entropy (TΔSdiss): 4.56 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-155865
Assembly 5
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Multimeric state: monomeric
Accessible surface area: 15403.99 Å2
Buried surface area: 725.45 Å2
Dissociation area: 362.73 Å2
Dissociation energy (ΔGdiss): -6.79 kcal/mol
Dissociation entropy (TΔSdiss): 4.56 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-155865
Assembly 6
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Multimeric state: monomeric
Accessible surface area: 15651.69 Å2
Buried surface area: 723.15 Å2
Dissociation area: 361.57 Å2
Dissociation energy (ΔGdiss): -7.2 kcal/mol
Dissociation entropy (TΔSdiss): 4.56 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-155865
Assembly 7
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Multimeric state: monomeric
Accessible surface area: 15669.25 Å2
Buried surface area: 734.67 Å2
Dissociation area: 367.33 Å2
Dissociation energy (ΔGdiss): -8.31 kcal/mol
Dissociation entropy (TΔSdiss): 4.57 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-155865
Assembly 8
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Multimeric state: monomeric
Accessible surface area: 15071.22 Å2
Buried surface area: 752.4 Å2
Dissociation area: 376.2 Å2
Dissociation energy (ΔGdiss): -7.49 kcal/mol
Dissociation entropy (TΔSdiss): 4.56 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-155865
Assembly 9
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Multimeric state: monomeric
Accessible surface area: 15914.71 Å2
Buried surface area: 757.56 Å2
Dissociation area: 378.78 Å2
Dissociation energy (ΔGdiss): -8.18 kcal/mol
Dissociation entropy (TΔSdiss): 4.57 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-155865

Macromolecules

Chains: A, B, C, D, E, F, G, H, I, J, K, L
Length: 326 amino acids
Theoretical weight: 37.67 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21
UniProt:
  • Canonical: P49137 (Residues: 41-364; Coverage: 81%)
Gene name: MAPKAPK2
Pfam: Protein kinase domain
InterPro:
CATH:

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