9Z6D

Crystal structure of LIMK1 mutant D460N bound to small molecule inhibitor cLIMK1i

This is a non-PDB format compatible entry.

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)	LIM domain kinase 1	polymer	313	36257.1	2	UniProt (P53667)	Homo sapiens (human)	LIMK-1
2	C, D (A, B)	N-(3'-methyl-5'-{[4-(trifluoromethyl)pyrimidin-2-yl]amino}[1,1'-biphenyl]-4-yl)prop-2-enamide	non-polymer		398.4	2	Chemie (A1C13)
3	E, F (A, B)	water	water		18.0	186	Chemie (HOH)

Sequence modifications

A, B: 329 - 640 (UniProt: P53667)

PDB	External Database	Details
Gly 328	-	expression tag
Asn 460	Asp 460	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	72514.2
Non-Polymers*	Number of molecules	2
	Total formula weight	796.8
All*	Total formula weight	73310.9

*Water molecules are not included.