3TKU

MRCK beta in complex with fasudil

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)	Serine/threonine-protein kinase MRCK beta	polymer	433	49865.4	2	UniProt (Q9Y5S2) Pfam (PF00069)	Homo sapiens (human)	CDC42-binding protein kinase beta, DMPK-like beta, Myotonic dystrophy kinase-related CDC42-binding kinase beta, MRCK beta, Myotonic dystrophy protein kinase-like beta
2	C, D, F, G (A, B)	5-(1,4-DIAZEPAN-1-SULFONYL)ISOQUINOLINE	non-polymer		291.4	4	Chemie (M77)
3	E, H (A, B)	1,2-ETHANEDIOL	non-polymer		62.1	2	Chemie (EDO)
4	I, J (A, B)	water	water		18.0	218	Chemie (HOH)

Sequence modifications

A, B: 2 - 417 (UniProt: Q9Y5S2)

PDB	External Database	Details
Met -15	-	expression tag
His -14	-	expression tag
His -13	-	expression tag
His -12	-	expression tag
His -11	-	expression tag
His -10	-	expression tag
His -9	-	expression tag
Ser -8	-	expression tag
Ser -7	-	expression tag
Gly -6	-	expression tag
Glu -5	-	expression tag
Asn -4	-	expression tag
Leu -3	-	expression tag
Tyr -2	-	expression tag
Phe -1	-	expression tag
Gln 0	-	expression tag
Gly 1	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	99730.7
Non-Polymers*	Number of molecules	6
	Total formula weight	1289.6
All*	Total formula weight	101020.3

*Water molecules are not included.