8DEG

Crystal structure of DLK in complex with inhibitor DN0011197

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Mitogen-activated protein kinase kinase kinase 12	polymer	322	36409.8	1	UniProt (Q12852) Pfam (PF07714)	Homo sapiens (human)	Dual leucine zipper bearing kinase,DLK,Leucine-zipper protein kinase,ZPK,MAPK-upstream kinase,MUK,Mixed lineage kinase
2	B (A)	methyl (1S,4S)-5-{(4P)-4-[5-amino-6-(difluoromethoxy)pyrazin-2-yl]-6-[(1R,4R)-2-azabicyclo[2.1.1]hexan-2-yl]pyridin-2-yl}-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate	non-polymer		473.5	1	Chemie (SIQ)
3	C (A)	water	water		18.0	30	Chemie (HOH)

Sequence modifications

A: 115 - 402 (UniProt: Q12852)

PDB	External Database	Details
Ile 90	-	expression tag
Phe 91	-	expression tag
Arg 92	-	expression tag
Ile 93	-	expression tag
Ile 94	-	expression tag
His 95	-	expression tag
Thr 96	-	expression tag
Val 97	-	expression tag
Pro 98	-	expression tag
Pro 99	-	expression tag
Ser 100	-	expression tag
Gly 101	-	expression tag
Ala 102	-	expression tag
Asp 103	-	expression tag
Pro 104	-	expression tag
Gly 105	-	expression tag
Pro 106	-	expression tag
Lys 107	-	expression tag
Arg 108	-	expression tag
Ala 109	-	expression tag
Glu 110	-	expression tag
Phe 111	-	expression tag
Met 112	-	expression tag
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	36409.8
Non-Polymers*	Number of molecules	1
	Total formula weight	473.5
All*	Total formula weight	36883.3

*Water molecules are not included.