6B4W

TTK in Complex with Inhibitor

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	303	34872.9	1	UniProt (P33981) Pfam (PF00069)	Homo sapiens (Human)	Phosphotyrosine picked threonine-protein kinase,PYT
2	B (A)	4-{[4-(cyclopentyloxy)-5-(2-methyl-1,3-benzoxazol-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino}-3-methoxy-N-methylbenzamide	non-polymer		512.6	1	Chemie (CQ7)
3	C (A)	CACODYLATE ION	non-polymer		137.0	1	Chemie (CAC)

Sequence modifications

A: 515 - 795 (UniProt: P33981)

PDB	External Database	Details
Met 495	-	initiating methionine
Gly 496	-	expression tag
Ser 497	-	expression tag
Ser 498	-	expression tag
His 499	-	expression tag
His 500	-	expression tag
His 501	-	expression tag
His 502	-	expression tag
His 503	-	expression tag
His 504	-	expression tag
Ser 505	-	expression tag
Ser 506	-	expression tag
Gly 507	-	expression tag
Leu 508	-	expression tag
Val 509	-	expression tag
Pro 510	-	expression tag
Arg 511	-	expression tag
Gly 512	-	expression tag
Ser 513	-	expression tag
His 514	-	expression tag
Leu 796	-	expression tag
Glu 797	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	34872.9
Non-Polymers*	Number of molecules	2
	Total formula weight	649.5
All*	Total formula weight	35522.5

*Water molecules are not included.