5VCX

CRYSTAL STRUCTURE OF HUMAN MYT1 KINASE DOMAIN (UNTREATED) 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	1	Chemie (EDO)
4		water	water		18.0	32	Chemie (HOH)

Sequence modifications

A: 75 - 362 (UniProt: Q99640)

PDB	External Database	Details
Met 52	-	initiating methionine
His 53	-	expression tag
His 54	-	expression tag
His 55	-	expression tag
His 56	-	expression tag
His 57	-	expression tag
His 58	-	expression tag
Ser 59	-	expression tag
Ser 60	-	expression tag
Gly 61	-	expression tag
Val 62	-	expression tag
Asp 63	-	expression tag
Leu 64	-	expression tag
Gly 65	-	expression tag
Thr 66	-	expression tag
Glu 67	-	expression tag
Asn 68	-	expression tag
Leu 69	-	expression tag
Tyr 70	-	expression tag
Phe 71	-	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	604.1
All*	Total formula weight	35102.2

*Water molecules are not included.