4UMU

Structure of MELK in complex with inhibitors

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Maternal embryonic leucine zipper kinase	polymer	356	40922.3	1	UniProt (Q14680) Pfam (PF00069) Pfam (PF21594)	Homo sapiens (human)	hMELK,Protein kinase Eg3,pEg3 kinase,Protein kinase PK38,hPK38,Tyrosine-protein kinase MELK
2	B (A)	(2-ethoxy-4-{[3-(isoquinolin-7-yl)prop-2-yn-1-yl]oxy}phenyl)methanaminium	non-polymer		333.4	1	Chemie (0V0)
3	C (A)	water	water		18.0	195	Chemie (HOH)

Sequence modifications

A: 1 - 336 (UniProt: Q14680)

PDB	External Database	Details
Met -19	-	initiating methionine
Gly -18	-	expression tag
Ser -17	-	expression tag
Ser -16	-	expression tag
His -15	-	expression tag
His -14	-	expression tag
His -13	-	expression tag
His -12	-	expression tag
His -11	-	expression tag
His -10	-	expression tag
Ser -9	-	expression tag
Ser -8	-	expression tag
Gly -7	-	expression tag
Leu -6	-	expression tag
Val -5	-	expression tag
Pro -4	-	expression tag
Arg -3	-	expression tag
Gly -2	-	expression tag
Ser -1	-	expression tag
His 0	-	expression tag
Thr 213	Asn 213	conflict
Ala 214	Val 214	conflict
Ala 215	Met 215	conflict
Val 218	Tyr 218	conflict
Ala 219	Lys 219	conflict

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	40922.3
Non-Polymers*	Number of molecules	1
	Total formula weight	333.4
All*	Total formula weight	41255.7

*Water molecules are not included.