7A52

Structure of DYRK1A in complex with compound 6

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	Dual specificity tyrosine-phosphorylation-regulated kinase 1A	polymer	355	41114.5	2	UniProt (Q13627) Pfam (PF00069) In PDB	Homo sapiens (Human)	Dual specificity YAK1-related kinase,HP86,Protein kinase minibrain homolog,hMNB
2	A, B	3-phenyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one	non-polymer		212.2	2	Chemie (QYB)
3	A	PHOSPHATE ION	non-polymer		95.0	2	Chemie (PO4)
4	B	DIMETHYL SULFOXIDE	non-polymer		78.1	1	Chemie (DMS)
5		water	water		18.0	591	Chemie (HOH)

Sequence modifications

A, B: 148 - 479 (UniProt: Q13627)

PDB	External Database	Details
Met 127	-	initiating methionine
Gly 128	-	expression tag
Ser 129	-	expression tag
Ser 130	-	expression tag
His 131	-	expression tag
His 132	-	expression tag
His 133	-	expression tag
His 134	-	expression tag
His 135	-	expression tag
His 136	-	expression tag
Ser 137	-	expression tag
Ser 138	-	expression tag
Gly 139	-	expression tag
Leu 140	-	expression tag
Val 141	-	expression tag
Pro 142	-	expression tag
Arg 143	-	expression tag
Gly 144	-	expression tag
Sep 145	-	expression tag
His 146	-	expression tag
Met 147	-	expression tag
Ala 480	-	expression tag
Ala 481	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	82229.1
Non-Polymers*	Number of molecules	5
	Total formula weight	692.5
All*	Total formula weight	82921.6

*Water molecules are not included.