3HMN

Crystal structure of human Mps1 catalytic domain in complex with ATP

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	342	39086.4	1	UniProt (P33981) Pfam (PF00069)	Homo sapiens (human)	Phosphotyrosine picked threonine-protein kinase, PYT
2	B (A)	ADENOSINE-5'-TRIPHOSPHATE	non-polymer		507.2	1	Chemie (ATP)
3	C (A)	2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL	non-polymer		310.4	1	Chemie (7PE)
4	D (A)	water	water		18.0	24	Chemie (HOH)

Sequence modifications

A: 510 - 809 (UniProt: P33981)

PDB	External Database	Details
His 468	-	expression tag
His 469	-	expression tag
His 470	-	expression tag
His 471	-	expression tag
His 472	-	expression tag
His 473	-	expression tag
Ser 474	-	expression tag
Ser 475	-	expression tag
Gly 476	-	expression tag
Leu 477	-	expression tag
Val 478	-	expression tag
Pro 479	-	expression tag
Arg 480	-	expression tag
Gly 481	-	expression tag
Ser 482	-	expression tag
Gly 483	-	expression tag
Met 484	-	expression tag
Lys 485	-	expression tag
Glu 486	-	expression tag
Thr 487	-	expression tag
Ala 488	-	expression tag
Ala 489	-	expression tag
Ala 490	-	expression tag
Lys 491	-	expression tag
Phe 492	-	expression tag
Glu 493	-	expression tag
Arg 494	-	expression tag
Gln 495	-	expression tag
His 496	-	expression tag
Met 497	-	expression tag
Asp 498	-	expression tag
Ser 499	-	expression tag
Pro 500	-	expression tag
Asp 501	-	expression tag
Leu 502	-	expression tag
Gly 503	-	expression tag
Thr 504	-	expression tag
Asp 505	-	expression tag
Asp 506	-	expression tag
Asp 507	-	expression tag
Asp 508	-	expression tag
Lys 509	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	39086.4
Non-Polymers*	Number of molecules	2
	Total formula weight	817.6
All*	Total formula weight	39904.0

*Water molecules are not included.