8UWN

Crystal structure of human CLK1 kinase in complex with compound 3

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Dual specificity protein kinase CLK1	polymer	360	42213.1	1	UniProt (P49759) Pfam (PF00069)	Homo sapiens (human)
2	B (A)	SULFATE ION	non-polymer		96.1	1	Chemie (SO4)
3	C (A)	cyclopropyl(4-{(8R)-6-[4-(piperazin-1-yl)phenyl]pyrrolo[1,2-b]pyridazin-4-yl}piperazin-1-yl)methanone	non-polymer		430.5	1	Chemie (XQX)
4	D (A)	water	water		18.0	668	Chemie (HOH)

Sequence modifications

A: 148 - 484 (UniProt: P49759)

PDB	External Database	Details
Met 125	-	initiating methionine
His 126	-	expression tag
His 127	-	expression tag
His 128	-	expression tag
His 129	-	expression tag
His 130	-	expression tag
His 131	-	expression tag
Ser 132	-	expression tag
Ser 133	-	expression tag
Gly 134	-	expression tag
Val 135	-	expression tag
Asp 136	-	expression tag
Leu 137	-	expression tag
Gly 138	-	expression tag
Thr 139	-	expression tag
Glu 140	-	expression tag
Asn 141	-	expression tag
Leu 142	-	expression tag
Tyr 143	-	expression tag
Phe 144	-	expression tag
Gln 145	-	expression tag
Ser 146	-	expression tag
Met 147	-	expression tag
Ala 432	Arg 432	conflict

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	42213.1
Non-Polymers*	Number of molecules	2
	Total formula weight	526.6
All*	Total formula weight	42739.7

*Water molecules are not included.