8C3G

Crystal structure of DYRK1A in complex with AZ191

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B, C, D (A, B, C, D)	Dual specificity tyrosine-phosphorylation-regulated kinase 1A	polymer	371	43311.8	4	UniProt (Q13627) Pfam (PF00069)	Homo sapiens (human)	Dual specificity YAK1-related kinase,HP86,Protein kinase minibrain homolog,MNBH,hMNB
2	AA, E, JA, T (C, A, D, B)	N-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]-4-(1-methylpyrrolo[2,3-c]pyridin-3-yl)pyrimidin-2-amine	non-polymer		429.5	4	Chemie (QS0)
3	BA, CA, DA, EA, F... (C, A, D, B)	1,2-ETHANEDIOL	non-polymer		62.1	32	Chemie (EDO)
4	PA, Y (D, B)	SULFATE ION	non-polymer		96.1	2	Chemie (SO4)
5	QA, RA, SA, TA (A, B, C, D)	water	water		18.0	804	Chemie (HOH)

Sequence modifications

A, B, C, D: 126 - 489 (UniProt: Q13627)

PDB	External Database	Details
Met 125	-	initiating methionine
His 490	-	expression tag
His 491	-	expression tag
His 492	-	expression tag
His 493	-	expression tag
His 494	-	expression tag
His 495	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	173247.1
Non-Polymers*	Number of molecules	38
	Total formula weight	3896.4
All*	Total formula weight	177143.4

*Water molecules are not included.