3WZK

CRYSTAL STRUCTURE OF HUMAN MPS1 CATALYTIC DOMAIN IN COMPLEX WITH N-cyclopropyl-4-(8-((thiophen-2-ylmethyl)amino)imidazo[1,2-a]pyrazin-3-yl)benzamide

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 TTK	polymer	321	36858.4	1	UniProt (P33981) Pfam (PF00069)	Homo sapiens (human)	Phosphotyrosine picked threonine-protein kinase, PYT
2	B (A)	CHLORIDE ION	non-polymer		35.5	1	Chemie (CL)
3	C (A)	N-cyclopropyl-4-{8-[(thiophen-2-ylmethyl)amino]imidazo[1,2-a]pyrazin-3-yl}benzamide	non-polymer		389.5	1	Chemie (O23)
4	D (A)	water	water		18.0	33	Chemie (HOH)

Sequence modifications

A: 516 - 820 (UniProt: P33981)

PDB	External Database	Details
Met 515	-	expression tag
Leu 821	-	expression tag
Val 822	-	expression tag
Pro 823	-	expression tag
Arg 824	-	expression tag
Gly 825	-	expression tag
Ser 826	-	expression tag
Ala 827	-	expression tag
Ala 828	-	expression tag
Gly 829	-	expression tag
His 830	-	expression tag
His 831	-	expression tag
His 832	-	expression tag
His 833	-	expression tag
His 834	-	expression tag
His 835	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	36858.4
Non-Polymers*	Number of molecules	2
	Total formula weight	424.9
All*	Total formula weight	37283.3

*Water molecules are not included.