8X8X

Crystal structure of ROCK2 with GNS-2591 inhibitor

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B (A, B)	Rho-associated protein kinase 2	polymer	391	45028.2	2	UniProt (O75116) Pfam (PF00069)	Homo sapiens (human)	Rho kinase 2,Rho-associated,coiled-coil-containing protein kinase 2,coiled-coil-containing protein kinase II,ROCK-II,p164 ROCK-2
2	C, F (A, B)	~{N}-methyl-3-[[1-oxidanylidene-6-[5-(trifluoromethyl)-1~{H}-pyrazol-4-yl]isoquinolin-2-yl]methyl]benzamide	non-polymer		426.4	2	Chemie (YDW)
3	D, E (A)	SULFATE ION	non-polymer		96.1	2	Chemie (SO4)
4	G, H (A, B)	water	water		18.0	95	Chemie (HOH)

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	90056.5
Non-Polymers*	Number of molecules	4
	Total formula weight	1044.9
All*	Total formula weight	91101.4

*Water molecules are not included.