5JSJ

Crystal structure of Spindlin1 bound to compound EML631

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	Spindlin-1	polymer	222	25509.7	2	UniProt (Q9Y657) Pfam (PF02513) In PDB	Homo sapiens (Human)	Ovarian cancer-related protein,Spindlin1
2	A, B	[4-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]-[4-[4-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]carbonyl-3-[[4-(pyrrolidin-1-ylmethoxy)phenyl]amino]phenyl]methanone	non-polymer		685.0	2	Chemie (6PD)
3	A	MAGNESIUM ION	non-polymer		24.3	1	Chemie (MG)
4	A, B	CHLORIDE ION	non-polymer		35.5	2	Chemie (CL)
5		water	water		18.0	84	Chemie (HOH)

Sequence modifications

A, B: 50 - 262 (UniProt: Q9Y657)

PDB	External Database	Details
Met 41	-	expression tag
His 42	-	expression tag
His 43	-	expression tag
His 44	-	expression tag
His 45	-	expression tag
His 46	-	expression tag
His 47	-	expression tag
Gly 48	-	expression tag
Ser 49	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	51019.5
Non-Polymers*	Number of molecules	5
	Total formula weight	1465.1
All*	Total formula weight	52484.6

*Water molecules are not included.