5VD0

CRYSTAL STRUCTURE OF HUMAN MYT1 KINASE DOMAIN IN COMPLEX WITH MK1775

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase	polymer	311	34498.1	1	UniProt (Q99640) Pfam (PF00069) In PDB	Homo sapiens (Human)	Myt1 kinase
2	A	1-[6-(2-hydroxypropan-2-yl)pyridin-2-yl]-6-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-2-(prop-2-en-1-yl)-1,2-dihydro-3H-pyrazolo[3,4-d]pyrimidin-3-one	non-polymer		500.6	1	Chemie (8X7)
3	A	DI(HYDROXYETHYL)ETHER	non-polymer		106.1	1	Chemie (PEG)
4		water	water		18.0	68	Chemie (HOH)

Sequence modifications

A: 75 - 362 (UniProt: Q99640)

PDB	External Database	Details
Met -22	-	initiating methionine
His -21	-	expression tag
His -20	-	expression tag
His -19	-	expression tag
His -18	-	expression tag
His -17	-	expression tag
His -16	-	expression tag
Ser -15	-	expression tag
Ser -14	-	expression tag
Gly -13	-	expression tag
Val -12	-	expression tag
Asp -11	-	expression tag
Leu -10	-	expression tag
Gly -9	-	expression tag
Thr -8	-	expression tag
Glu -7	-	expression tag
Asn -6	-	expression tag
Leu -5	-	expression tag
Tyr -4	-	expression tag
Phe -3	-	expression tag
Gln 72	-	expression tag
Ser 73	-	expression tag
Met 74	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	34498.1
Non-Polymers*	Number of molecules	2
	Total formula weight	606.7
All*	Total formula weight	35104.8

*Water molecules are not included.