5X8I

Crystal structure of human CLK1 in complex with compound 25

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B (B, A)	Dual specificity protein kinase CLK1	polymer	346	40565.6	2	UniProt (P49759) Pfam (PF00069)	Homo sapiens (Human)	CDC-like kinase 1
2	C, D (B, A)	5-[1-[(1S)-1-(4-fluorophenyl)ethyl]-[1,2,3]triazolo[4,5-c]quinolin-8-yl]-1,3-benzoxazole	non-polymer		409.4	2	Chemie (SQZ)
3	E, F (B, A)	water	water		18.0	630	Chemie (HOH)

Sequence modifications

B, A: 148 - 484 (UniProt: P49759)

PDB	External Database	Details
Met 147	-	expression tag
Ala 432	Arg 432	engineered mutation
Leu 485	-	expression tag
Glu 486	-	expression tag
His 487	-	expression tag
His 488	-	expression tag
His 489	-	expression tag
His 490	-	expression tag
His 491	-	expression tag
His 492	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	81131.1
Non-Polymers*	Number of molecules	2
	Total formula weight	818.8
All*	Total formula weight	81950.0

*Water molecules are not included.