Structure analysis

CRYSTAL STRUCTURE OF TYROSINE KINASE 2 JH2 (PSEUDO KINASE DOMAIN) COMPLEXED WITH BMS-066 AKA 2-METHOXY-N-({6-[3-METHYL-7-(METHYLAMINO)-3,5,8,10-TETRAAZATRICYCLO[7.3.0.0, 6]DODECA-1(9),2(6),4,7,11-PENTAEN-11-YL]PYRIDIN-2-YL}METHY L)ACETAMIDE

X-ray diffraction
1.8Å resolution
Source organism: Homo sapiens
Assemblies composition:
monomeric (preferred)
homo dimer
Entry contents: 1 distinct polypeptide molecule

Assemblies

Assembly 1 (preferred)
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Multimeric state: monomeric
Accessible surface area: 11790.69 Å2
Buried surface area: 408.38 Å2
Dissociation area: 69.23 Å2
Dissociation energy (ΔGdiss): 10.93 kcal/mol
Dissociation entropy (TΔSdiss): 0.57 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-151548
Assembly 2
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Multimeric state: monomeric
Accessible surface area: 11351.16 Å2
Buried surface area: 563.92 Å2
Dissociation area: 72.17 Å2
Dissociation energy (ΔGdiss): 11.16 kcal/mol
Dissociation entropy (TΔSdiss): 0.58 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-151548
Assembly 3
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Multimeric state: homo dimer
Accessible surface area: 21980.38 Å2
Buried surface area: 2133.76 Å2
Dissociation area: 567.3 Å2
Dissociation energy (ΔGdiss): 14.79 kcal/mol
Dissociation entropy (TΔSdiss): 12.83 kcal/mol
Symmetry number: 2
PDBe Complex ID: PDB-CPX-151549

Macromolecules

Chains: A, B
Length: 317 amino acids
Theoretical weight: 35.5 KDa
Source organism: Homo sapiens
Expression system: unidentified baculovirus
UniProt:
  • Canonical: P29597 (Residues: 575-869; Coverage: 25%)
Gene name: TYK2
Pfam: Protein tyrosine and serine/threonine kinase
InterPro:
CATH:

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