5VD3

CRYSTAL STRUCTURE OF HUMAN MYT1 KINASE DOMAIN (de-phosphorylated) IN COMPLEX WITH SARACATINIB

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	N-(5-CHLORO-1,3-BENZODIOXOL-4-YL)-7-[2-(4-METHYLPIPERAZIN-1-YL)ETHOXY]-5-(TETRAHYDRO-2H-PYRAN-4-YLOXY)QUINAZOLIN-4-AMINE	non-polymer		542.0	1	Chemie (H8H)
3	A	1,2-ETHANEDIOL	non-polymer		62.1	2	Chemie (EDO)
4	A	DI(HYDROXYETHYL)ETHER	non-polymer		106.1	1	Chemie (PEG)
5		water	water		18.0	166	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 -2	-	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	4
	Total formula weight	772.3
All*	Total formula weight	35270.4

*Water molecules are not included.