9BPX

Estrogen Receptor Alpha Ligand Binding Domain Y537S Mutant in Complex with (1'-(4-((1-butylpyrrolidin-3-yl)methoxy)phenyl)-6'-hydroxy-1',4'-dihydro-2'H-spiro[cyclopropane-1,3'-isoquinolin]-2'-yl)(phenyl)methanone

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)	Estrogen receptor	polymer	262	30016.0	2	UniProt (P03372) Pfam (PF00104)	Homo sapiens (human)	ER,ER-alpha,Estradiol receptor,Nuclear receptor subfamily 3 group A member 1
2	C (A)	HISTIDINE	non-polymer		156.2	1	Chemie (HIS)
3	D (A)	[(1'R)-1'-(4-{[(3R)-1-(3-fluoropropyl)pyrrolidin-3-yl]methoxy}phenyl)-6'-hydroxy-1',4'-dihydro-2'H-spiro[cyclopropane-1,3'-isoquinolin]-2'-yl](phenyl)methanone	non-polymer		514.6	1	Chemie (TZI)
4	E (B)	[(1'R)-1'-(4-{[(3S)-1-(3-fluoropropyl)-2,3-dihydro-1H-pyrrol-3-yl]methoxy}phenyl)-6'-hydroxy-1',4'-dihydro-2'H-spiro[cyclopropane-1,3'-isoquinolin]-2'-yl](phenyl)methanone	non-polymer		512.6	1	Chemie (A1BV9)
5	F, G (A, B)	water	water		18.0	186	Chemie (HOH)

Sequence modifications

A, B: 305 - 554 (UniProt: P03372)

PDB	External Database	Details
His 293	-	expression tag
His 294	-	expression tag
His 295	-	expression tag
His 296	-	expression tag
His 297	-	expression tag
His 298	-	expression tag
Glu 299	-	expression tag
Asn 300	-	expression tag
Leu 301	-	expression tag
Tyr 302	-	expression tag
Phe 303	-	expression tag
Gln 304	-	expression tag
Ser 381	Cys 381	engineered mutation
Ser 417	Cys 417	engineered mutation
Ser 530	Cys 530	engineered mutation
Ser 537	Tyr 537	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	60032.0
Non-Polymers*	Number of molecules	3
	Total formula weight	1183.4
All*	Total formula weight	61215.4

*Water molecules are not included.