5DH3

Crystal structure of MST2 in complex with XMU-MP-1

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	Serine/threonine-protein kinase 3	polymer	315	35739.8	2	UniProt (Q13188) Pfam (PF00069) In PDB	Homo sapiens (Human)	Mammalian STE20-like protein kinase 2,MST-2,STE20-like kinase MST2,Serine/threonine-protein kinase Krs-1
2	A, B	4-[(5,10-dimethyl-6-oxo-6,10-dihydro-5H-pyrimido[5,4-b]thieno[3,2-e][1,4]diazepin-2-yl)amino]benzenesulfonamide	non-polymer		416.5	2	Chemie (5BS)
3	A	CHLORIDE ION	non-polymer		35.5	1	Chemie (CL)
4	B	SULFATE ION	non-polymer		96.1	1	Chemie (SO4)
5		water	water		18.0	128	Chemie (HOH)

Sequence modifications

A, B: 15 - 313 (UniProt: Q13188)

PDB	External Database	Details
Gly -1	-	expression tag
Ser 0	-	expression tag
His 1	-	expression tag
Met 2	-	expression tag
Ala 3	-	expression tag
Ser 4	-	expression tag
Met 5	-	expression tag
Thr 6	-	expression tag
Gly 7	-	expression tag
Gly 8	-	expression tag
Gln 9	-	expression tag
Gln 10	-	expression tag
Met 11	-	expression tag
Gly 12	-	expression tag
Arg 13	-	expression tag
Gly 14	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	71479.5
Non-Polymers*	Number of molecules	4
	Total formula weight	964.5
All*	Total formula weight	72444.0

*Water molecules are not included.