5LJJ

Crystal structure of human Mps1 (TTK) in complex with Reversine

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	313	36175.3	1	UniProt (P33981) Pfam (PF00069)	Homo sapiens (Human)	Phosphotyrosine picked threonine-protein kinase,PYT
2	B (A)	N~6~-cyclohexyl-N~2~-(4-morpholin-4-ylphenyl)-9H-purine-2,6-diamine	non-polymer		393.5	1	Chemie (AD5)
3	C (A)	1,2-ETHANEDIOL	non-polymer		62.1	1	Chemie (EDO)

Sequence modifications

A: 519 - 808 (UniProt: P33981)

PDB	External Database	Details
Met 496	-	initiating methionine
His 497	-	expression tag
His 498	-	expression tag
His 499	-	expression tag
His 500	-	expression tag
His 501	-	expression tag
His 502	-	expression tag
Ser 503	-	expression tag
Ser 504	-	expression tag
Gly 505	-	expression tag
Val 506	-	expression tag
Asp 507	-	expression tag
Leu 508	-	expression tag
Gly 509	-	expression tag
Thr 510	-	expression tag
Glu 511	-	expression tag
Asn 512	-	expression tag
Leu 513	-	expression tag
Tyr 514	-	expression tag
Phe 515	-	expression tag
Gln 516	-	expression tag
Ser 517	-	expression tag
Met 518	-	expression tag
Tyr 604	Cys 604	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	36175.3
Non-Polymers*	Number of molecules	2
	Total formula weight	455.6
All*	Total formula weight	36630.8

*Water molecules are not included.