4TXC

Crystal Structure of DAPK1 kinase domain in complex with a small molecule inhibitor

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	Death-associated protein kinase 1	polymer	304	34765.4	1	UniProt (P53355) Pfam (PF00069) In PDB	Homo sapiens (Human)	DAP kinase 1
2	A	4-(3-{3-[(R)-{[2-(dimethylamino)ethyl]amino}(hydroxy)methyl]phenyl}imidazo[1,2-b]pyridazin-6-yl)-2-methoxyphenol	non-polymer		433.5	1	Chemie (38G)
3	A	1,2-ETHANEDIOL	non-polymer		62.1	6	Chemie (EDO)
4		water	water		18.0	275	Chemie (HOH)

Sequence modifications

A: 1 - 285 (UniProt: P53355)

PDB	External Database	Details
Gly -18	-	expression tag
Ser -17	-	expression tag
Ser -16	-	expression tag
His -15	-	expression tag
His -14	-	expression tag
His -13	-	expression tag
His -12	-	expression tag
His -11	-	expression tag
His -10	-	expression tag
Ser -9	-	expression tag
Ser -8	-	expression tag
Gly -7	-	expression tag
Leu -6	-	expression tag
Val -5	-	expression tag
Pro -4	-	expression tag
Arg -3	-	expression tag
Gly -2	-	expression tag
Ser -1	-	expression tag
His 0	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	34765.4
Non-Polymers*	Number of molecules	7
	Total formula weight	805.9
All*	Total formula weight	35571.3

*Water molecules are not included.