5N87

TTK kinase domain in complex with NTRC 0066-0

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	Dual specificity protein kinase TTK	polymer	313	36195.2	1	UniProt (P33981) Pfam (PF00069) In PDB	Homo sapiens (Human)	Phosphotyrosine picked threonine-protein kinase,PYT
2	A	~{N}-(2,6-diethylphenyl)-2-[[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino]-5,6-dihydropyrimido[4,5-e]indolizine-7-carboxamide	non-polymer		565.7	1	Chemie (N66)
3	A	2,5,8,11-TETRAOXATRIDECANE	non-polymer		192.3	1	Chemie (PGF)
4	A	SODIUM ION	non-polymer		23.0	1	Chemie (NA)
5		water	water		18.0	100	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

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	36195.2
Non-Polymers*	Number of molecules	3
	Total formula weight	781.0
All*	Total formula weight	36976.2

*Water molecules are not included.