5N9S

TTK kinase domain in complex with BAY 1161909

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	36211.3	1	UniProt (P33981) Pfam (PF00069)	Homo sapiens (Human)	Phosphotyrosine picked threonine-protein kinase,PYT
2	B (A)	(2~{R})-2-(4-fluorophenyl)-~{N}-[4-[2-[(2-methoxy-4-methylsulfonyl-phenyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]propanamide	non-polymer		559.6	1	Chemie (8QW)
3	C (A)	water	water		18.0	66	Chemie (HOH)

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
Leu 797	Pro 797	conflict

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	36211.3
Non-Polymers*	Number of molecules	1
	Total formula weight	559.6
All*	Total formula weight	36770.9

*Water molecules are not included.