8DUS

Estrogen Receptor Alpha Ligand Binding Domain in Complex with (1'-(4-(2-(ethylamino)ethoxy)phenyl)-6'-hydroxy-1',4'-dihydro-2'H-spiro[cyclopropane-1,3'-isoquinolin]-2'-yl)(phenyl)methanone

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, E... (A, B, E, F, G...)	Estrogen receptor	polymer	255	29033.0	6	UniProt (P03372) Pfam (PF00104)	Homo sapiens (human)	ER,ER-alpha,Estradiol receptor,Nuclear receptor subfamily 3 group A member 1
2	G, H, I, J, K... (A, B, E, F, G...)	[(1'R)-1'-{4-[2-(ethylamino)ethoxy]phenyl}-6'-hydroxy-1',4'-dihydro-2'H-spiro[cyclopropane-1,3'-isoquinolin]-2'-yl](phenyl)methanone	non-polymer		442.5	6	Chemie (TWF)
3	M, N, O, P, Q... (A, B, E, F, G...)	water	water		18.0	489	Chemie (HOH)

Sequence modifications

A, B, E, F, G, H: 301 - 554 (UniProt: P03372)

PDB	External Database	Details
Met 300	-	initiating methionine
Ser 381	Cys 381	engineered mutation
Ser 417	Cys 417	engineered mutation
Ser 530	Cys 530	engineered mutation
Ser 536	Leu 536	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	6
	Total formula weight	174198.1
Non-Polymers*	Number of molecules	6
	Total formula weight	2655.3
All*	Total formula weight	176853.4

*Water molecules are not included.