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8V2F

Crystal structure of IRAK4 kinase domain with compound 9

Entity
Entity IDChain IDDescriptionTypeChain lengthFormula weightNumber of moleculesDB Name (Accession)Biological sourceDescriptive keywords
1A, B, C, DInterleukin-1 receptor-associated kinase 4polymer32737201.74UniProt (Q9NWZ3)
Pfam (PF07714)
In PDB
Homo sapiens (human)IRAK-4,Renal carcinoma antigen NY-REN-64
2A, B, C, DN-{2-[(1r,4r)-4-(hydroxymethyl)cyclohexyl]-6-(2-hydroxypropan-2-yl)-2H-indazol-5-yl}-6-(trifluoromethyl)pyridine-2-carboxamidenon-polymer476.54Chemie (YJU)
3A, B, CCHLORIDE IONnon-polymer35.53Chemie (CL)
4A, B, C, DGLYCEROLnon-polymer92.16Chemie (GOL)
5waterwater18.0619Chemie (HOH)
Sequence modifications
A, B, C, D: 160 - 460 (UniProt: Q9NWZ3)
PDBExternal DatabaseDetails
Met 134-initiating methionine
Ser 135-expression tag
Tyr 136-expression tag
Tyr 137-expression tag
His 138-expression tag
His 139-expression tag
His 140-expression tag
His 141-expression tag
His 142-expression tag
His 143-expression tag
Asp 144-expression tag
Tyr 145-expression tag
Asp 146-expression tag
Ile 147-expression tag
Pro 148-expression tag
Thr 149-expression tag
Thr 150-expression tag
Glu 151-expression tag
Asn 152-expression tag
Leu 153-expression tag
Tyr 154-expression tag
Phe 155-expression tag
Gln 156-expression tag
Ser 157-expression tag
Ile 158-expression tag
Ala 159-expression tag
Sequence viewer
Contents of the asymmetric unit
PolymersNumber of chains4
Total formula weight148806.7
Non-Polymers*Number of molecules13
Total formula weight2564.9
All*Total formula weight151371.6
*Water molecules are not included.

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PDB entries from 2024-07-24

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