9BU1

Estrogen Receptor Alpha Ligand Binding Domain Y537S Mutant in Complex with (6'-hydroxy-1'-(4-((1-propylazetidin-3-yl)methoxy)phenyl)-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	Estrogen receptor	polymer	263	30147.2	2	UniProt (P03372) Pfam (PF00104) In PDB	Homo sapiens (human)	ER,ER-alpha,Estradiol receptor,Nuclear receptor subfamily 3 group A member 1
2	A, B	[(1'R)-6'-hydroxy-1'-{4-[(1-propylazetidin-3-yl)methoxy]phenyl}-1',4'-dihydro-2'H-spiro[cyclopropane-1,3'-isoquinolin]-2'-yl](phenyl)methanone	non-polymer		482.6	2	Chemie (A1ASN)
3		water	water		18.0	423	Chemie (HOH)

Sequence modifications

A, B: 306 - 554 (UniProt: P03372)

PDB	External Database	Details
His 292	-	expression tag
His 293	-	expression tag
His 294	-	expression tag
His 295	-	expression tag
His 296	-	expression tag
His 297	-	expression tag
Glu 298	-	expression tag
Asn 299	-	expression tag
Leu 300	-	expression tag
Tyr 301	-	expression tag
Phe 302	-	expression tag
Gln 303	-	expression tag
Ser 304	-	expression tag
Met 305	-	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	60294.4
Non-Polymers*	Number of molecules	2
	Total formula weight	965.2
All*	Total formula weight	61259.6

*Water molecules are not included.