7NRB

Re-refinement of MK3-inhibitor complex

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	MAP kinase-activated protein kinase 3	polymer	336	38575.0	1	UniProt (Q16644) Pfam (PF00069)	Homo sapiens (Human)	MAPK-activated protein kinase 3,MAPKAP kinase 3,MAPKAP-K3,MAPKAPK-3,MK-3,Chromosome 3p kinase,3pK
2	B (A)	2-(2-QUINOLIN-3-YLPYRIDIN-4-YL)-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE	non-polymer		340.4	1	Chemie (P4O)
3	C (A)	water	water		18.0	140	Chemie (HOH)

Sequence modifications

A: 33 - 349 (UniProt: Q16644)

PDB	External Database	Details
Met 14	-	initiating methionine
Ala 15	-	expression tag
His 16	-	expression tag
His 17	-	expression tag
His 18	-	expression tag
His 19	-	expression tag
His 20	-	expression tag
His 21	-	expression tag
Ser 22	-	expression tag
Ser 23	-	expression tag
Gly 24	-	expression tag
Leu 25	-	expression tag
Glu 26	-	expression tag
Val 27	-	expression tag
Leu 28	-	expression tag
Phe 29	-	expression tag
Gln 30	-	expression tag
Gly 31	-	expression tag
Pro 32	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	38575.0
Non-Polymers*	Number of molecules	1
	Total formula weight	340.4
All*	Total formula weight	38915.4

*Water molecules are not included.