8DUG

Estrogen Receptor Alpha Ligand Binding Domain in Complex with (6'-hydroxy-1'-(4-(2-((S)-3-methylpyrrolidin-1-yl)ethoxy)phenyl)-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	Estrogen receptor	polymer	255	29033.0	2	UniProt (P03372) Pfam (PF00104) In PDB	Homo sapiens (human)
2	A, B	[(1'R)-6'-hydroxy-1'-(4-{2-[(3R)-3-methylpyrrolidin-1-yl]ethoxy}phenyl)-1',4'-dihydro-2'H-spiro[cyclopropane-1,3'-isoquinolin]-2'-yl](phenyl)methanone	non-polymer		482.6	2	Chemie (TVF)
3		water	water		18.0	141	Chemie (HOH)

Sequence modifications

A, B: 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	2
	Total formula weight	58066.0
Non-Polymers*	Number of molecules	2
	Total formula weight	965.2
All*	Total formula weight	59031.3

*Water molecules are not included.