3RAW

Crystal Structure of human CDC-like kinase 3 isoform in complex with leucettine L41

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B (A, B)	Dual specificity protein kinase CLK3	polymer	381	44790.1	2	UniProt (P49761) Pfam (PF00069)	Homo sapiens (human)	CDC-like kinase 3
2	C, D (A, B)	5-(1,3-benzodioxol-5-ylmethyl)-2-(phenylamino)-4H-imidazol-4-one	non-polymer		307.3	2	Chemie (3RA)
3	E, F (A, B)	water	water		18.0	246	Chemie (HOH)

Sequence modifications

A, B: 127 - 484 (UniProt: P49761)

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

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	89580.1
Non-Polymers*	Number of molecules	2
	Total formula weight	614.6
All*	Total formula weight	90194.7

*Water molecules are not included.