5CEO

DLK in complex with inhibitor 2-((6-(3,3-difluoropyrrolidin-1-yl)-4-(1-(oxetan-3-yl)piperidin-4-yl)pyridin-2-yl)amino)isonicotinonitrile

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	2-[[6-[3,3-bis(fluoranyl)pyrrolidin-1-yl]-4-[1-(oxetan-3-yl)piperidin-4-yl]pyridin-2-yl]amino]pyridine-4-carbonitrile	non-polymer		440.5	1	Chemie (50D)
3		water	water		18.0	71	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	440.5
All*	Total formula weight	34458.5

*Water molecules are not included.