5AIK

Human DYRK1A in complex with LDN-211898

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	DYRK1A DUAL-SPECIFICITY TYROSINE-PHOSPHORYLATION REGULATED KINASE 1A	polymer	382	44553.2	4	UniProt (Q13627) Pfam (PF00069) In PDB	HOMO SAPIENS (HUMAN)	DUAL SPECIFICITY YAK1-RELATED KINASE, HP86, PROTEIN KINASE MINIBRAIN HOMOLOG, MNBH, HMNB
2	A, B, C, D	4-(7-METHOXY-1-(TRIFLUOROMETHYL)-9H-PYRIDO[3,4-B]INDOL-9-yl)butan-1-amine	non-polymer		337.3	4	Chemie (AWR)
3	A, B, C, D	PHOSPHATE ION	non-polymer		95.0	10	Chemie (PO4)
4		water	water		18.0	64	Chemie (HOH)

Sequence modifications

A, B, C, D: 128 - 485 (UniProt: Q13627)

PDB	External Database	Details
Met 104	-	expression tag
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
Ser 127	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	178212.8
Non-Polymers*	Number of molecules	14
	Total formula weight	2299.1
All*	Total formula weight	180511.8

*Water molecules are not included.