6IB0

The structure of MKK7 in complex with the covalent 4-amino-pyrazolopyrimidine 3a

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	36146.9	1	UniProt (O14733) Pfam (PF00069) In PDB	Homo sapiens (Human)	MAPKK 7,JNK-activating kinase 2,MAPK/ERK kinase 7,MEK 7,Stress-activated protein kinase kinase 4,SAPKK4,c-Jun N-terminal kinase kinase 2,JNKK 2
2	A	1-[(3~{R})-3-(4-azanyl-3-ethynyl-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl]prop-2-en-1-one	non-polymer		296.3	1	Chemie (H8Z)
3	A	TETRAETHYLENE GLYCOL	non-polymer		194.2	1	Chemie (PG4)
4		water	water		18.0	38	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

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	36146.9
Non-Polymers*	Number of molecules	2
	Total formula weight	490.6
All*	Total formula weight	36637.4

*Water molecules are not included.