7RRX

Crystal Structure of the ER-alpha Ligand-binding Domain (L372S, L536S) in complex with DMERI-19

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 (A, B, C, D)	Estrogen receptor	polymer	257	29380.5	4	UniProt (P03372) Pfam (PF00104)	Homo sapiens (Human)	ER,ER-alpha,Estradiol receptor,Nuclear receptor subfamily 3 group A member 1
2	E, F, H, J (A, B, C, D)	(1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-N-{4-[2-(piperidin-1-yl)ethoxy]phenyl}-N-(2,2,2-trifluoroethyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide	non-polymer		644.7	4	Chemie (7AI)
3	G, I (B, C)	CHLORIDE ION	non-polymer		35.5	2	Chemie (CL)
4	K, L, M, N (A, B, C, D)	water	water		18.0	437	Chemie (HOH)

Sequence modifications

A, B, C, D: 298 - 554 (UniProt: P03372)

PDB	External Database	Details
Ser 372	Leu 372	engineered mutation
Ser 536	Leu 536	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	117522.1
Non-Polymers*	Number of molecules	6
	Total formula weight	2649.7
All*	Total formula weight	120171.8

*Water molecules are not included.