8OUT

CRYSTAL STRUCTURE OF DLK IN COMPLEX WITH COMPOUND 22

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	Mitogen-activated protein kinase kinase kinase 12	polymer	300	34018.0	1	UniProt (Q12852) Pfam (PF07714) In PDB	Homo sapiens (human)	Dual leucine zipper bearing kinase,DLK,Leucine-zipper protein kinase,ZPK,MAPK-upstream kinase,MUK,Mixed lineage kinase
2	A	(1R)-1-[4-[6-azanyl-5-(trifluoromethyloxy)pyridin-3-yl]-1-(3-fluoranyl-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]-2,2,2-tris(fluoranyl)ethanol	non-polymer		426.3	1	Chemie (W3C)
3		water	water		18.0	82	Chemie (HOH)

Sequence modifications

A: 115 - 402 (UniProt: Q12852)

PDB	External Database	Details
Met 112	-	initiating methionine
Gly 113	-	expression tag
Ser 114	-	expression tag
Gly 403	-	expression tag
Asn 404	-	expression tag
Ser 405	-	expression tag
His 406	-	expression tag
His 407	-	expression tag
His 408	-	expression tag
His 409	-	expression tag
His 410	-	expression tag
His 411	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	34018.0
Non-Polymers*	Number of molecules	1
	Total formula weight	426.3
All*	Total formula weight	34444.3

*Water molecules are not included.