Structure analysis

Crystal structure of IRAK4 kinase domain complexed with AMPPNP

X-ray diffraction
2.3Å 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: 13031.6 Å2
Buried surface area: 859.54 Å2
Dissociation area: 429.77 Å2
Dissociation energy (ΔGdiss): -1.35 kcal/mol
Dissociation entropy (TΔSdiss): 5.31 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-192669
    Assembly 1
Confidence : 85%
No. subunits : 1
Symmetry : None
3DComplex & QSbio predictionx
No. subunits : Unclear
Symmetry : Unclear
Evidence : This biological assembly agrees with the prediction of PISA but not of EPPIC
Assembly 2
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Multimeric state: monomeric
Accessible surface area: 13274.14 Å2
Buried surface area: 823.37 Å2
Dissociation area: 411.68 Å2
Dissociation energy (ΔGdiss): -0.39 kcal/mol
Dissociation entropy (TΔSdiss): 5.26 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-192669
    Assembly 2
Confidence : 85%
No. subunits : 1
Symmetry : None
3DComplex & QSbio predictionx
No. subunits : Unclear
Symmetry : Unclear
Evidence : This biological assembly agrees with the prediction of PISA but not of EPPIC
Assembly 3
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Multimeric state: monomeric
Accessible surface area: 13240.64 Å2
Buried surface area: 794.48 Å2
Dissociation area: 397.24 Å2
Dissociation energy (ΔGdiss): -1.47 kcal/mol
Dissociation entropy (TΔSdiss): 5.29 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-192669
    Assembly 3
Confidence : 85%
No. subunits : 1
Symmetry : None
3DComplex & QSbio predictionx
No. subunits : Unclear
Symmetry : Unclear
Evidence : This biological assembly agrees with the prediction of PISA but not of EPPIC
Assembly 4
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Multimeric state: monomeric
Accessible surface area: 13426.47 Å2
Buried surface area: 875.01 Å2
Dissociation area: 437.5 Å2
Dissociation energy (ΔGdiss): -1.77 kcal/mol
Dissociation entropy (TΔSdiss): 5.28 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-192669
    Assembly 4
Confidence : 85%
No. subunits : 1
Symmetry : None
3DComplex & QSbio predictionx
No. subunits : Unclear
Symmetry : Unclear
Evidence : This biological assembly agrees with the prediction of PISA but not of EPPIC

Macromolecules

Chains: A, B, C, D
Length: 301 amino acids
Theoretical weight: 33.96 KDa
Source organism: Homo sapiens
Expression system: unidentified baculovirus
UniProt:
  • Canonical: Q9NWZ3 (Residues: 160-460; Coverage: 65%)
Gene name: IRAK4
Pfam: Protein tyrosine and serine/threonine kinase
InterPro:
CATH:
PDBe-KB: UniProt Coverage View: Q9NWZ3  
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