5WNF

X-RAY CO-STRUCTURE OF RHO-ASSOCIATED PROTEIN KINASE (ROCK1) WITH A HIGHLY SELECTIVE 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, C, D	Rho-associated protein kinase 1	polymer	415	48012.3	4	UniProt (Q13464) Pfam (PF00069) In PDB	Homo sapiens (Human)	Renal carcinoma antigen NY-REN-35,Rho-associated,coiled-coil-containing protein kinase 1,coiled-coil-containing protein kinase I,ROCK-I,p160 ROCK-1,p160ROCK
2	A, B, C, D	1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyl-N-({3-[(5-methyl-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl}methyl)-1H-1,2,3-triazole-4-carboxamide	non-polymer		494.5	4	Chemie (B4V)
3	A	GLYCEROL	non-polymer		92.1	2	Chemie (GOL)
4		water	water		18.0	162	Chemie (HOH)

Sequence modifications

A, B, C, D: 6 - 415 (UniProt: Q13464)

PDB	External Database	Details
Gly 1	-	expression tag
Ser 2	-	expression tag
Leu 3	-	expression tag
His 4	-	expression tag
Met 5	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	192049.1
Non-Polymers*	Number of molecules	6
	Total formula weight	2162.3
All*	Total formula weight	194211.4

*Water molecules are not included.