7OVJ

Protein kinase MKK7 in complex with difluoro-phenethyltriazole-substituted pyrazolopyrimidine

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	Dual specificity mitogen-activated protein kinase kinase 7	polymer	318	36174.9	1	UniProt (O14733) Pfam (PF00069) In PDB	Homo sapiens (Human)	MAP kinase kinase 7,MAPKK 7,JNK-activating kinase 2,MAPK/ERK kinase 7,MEK 7,Stress-activated protein kinase kinase 4,SAPK kinase 4,SAPKK-4,SAPKK4,c-Jun N-terminal kinase kinase 2,JNK kinase 2,JNKK 2
2	A	1-[(3~{R})-3-[4-azanyl-3-[1-[2,2-bis(fluoranyl)-2-phenyl-ethyl]-1,2,3-triazol-4-yl]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]propan-1-one	non-polymer		481.5	1	Chemie (24N)
3		water	water		18.0	77	Chemie (HOH)

Sequence modifications

A: 117 - 424 (UniProt: O14733)

PDB	External Database	Details
Met 107	-	initiating methionine
Gly 108	-	expression tag
His 109	-	expression tag
His 110	-	expression tag
His 111	-	expression tag
His 112	-	expression tag
His 113	-	expression tag
His 114	-	expression tag
Ser 115	-	expression tag
Ala 116	-	expression tag
Arg 418	Glu 402	conflict

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	36174.9
Non-Polymers*	Number of molecules	1
	Total formula weight	481.5
All*	Total formula weight	36656.4

*Water molecules are not included.