7LQD

Structure of Human MPS1 (TTK) covalently bound to RMS-07 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 or monopolar spindle 1 kinase	polymer	313	36115.3	1	UniProt (P33981-2) Pfam (PF00069) UniProt (by SIFTS) (P33981)	Homo sapiens (Human)	Phosphotyrosine picked threonine-protein kinase,PYT
2	B (A)	~{N}-(2,6-diethylphenyl)-2-[[4-(4-methylpiperazin-1-yl)-2-(propanoylamino)phenyl]amino]-5,6-dihydropyrimido[4,5-e]indolizine-7-carboxamide	non-polymer		606.8	1	Chemie (YB4)
3	C, D, E, F, G (A)	GLYCEROL	non-polymer		92.1	5	Chemie (GOL)
4	H (A)	2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXYL	non-polymer		164.2	1	Chemie (TOE)
5	I (A)	water	water		18.0	134	Chemie (HOH)

Sequence modifications

A: 519 - 808 (UniProt: P33981-2)

PDB	External Database	Details
Met 496	-	expression tag
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	36115.3
Non-Polymers*	Number of molecules	7
	Total formula weight	1231.4
All*	Total formula weight	37346.7

*Water molecules are not included.