7A55

Structure of DYRK1A in complex with compound 8

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	382	44553.2	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-(1-methylpyrazol-4-yl)-1~{H}-pyrazole-5-carboxylic acid	non-polymer		192.2	2	Chemie (QZ2)
3		water	water		18.0	269	Chemie (HOH)

Sequence modifications

A, B: 127 - 485 (UniProt: Q13627)

PDB	External Database	Details
Met 104	-	initiating methionine
His 105	-	expression tag
His 106	-	expression tag
His 107	-	expression tag
His 108	-	expression tag
His 109	-	expression tag
His 110	-	expression tag
Ser 111	-	expression tag
Ser 112	-	expression tag
Gly 113	-	expression tag
Val 114	-	expression tag
Asp 115	-	expression tag
Leu 116	-	expression tag
Gly 117	-	expression tag
Thr 118	-	expression tag
Glu 119	-	expression tag
Asn 120	-	expression tag
Leu 121	-	expression tag
Tyr 122	-	expression tag
Phe 123	-	expression tag
Gln 124	-	expression tag
Ser 125	-	expression tag
Met 126	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	89106.4
Non-Polymers*	Number of molecules	2
	Total formula weight	384.4
All*	Total formula weight	89490.7

*Water molecules are not included.