6DFN

Crystal structure of estrogen receptor alpha in complex with receptor degrader 16aa

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	280	31980.3	4	UniProt (P03372) Pfam (PF00104)	Homo sapiens (Human)	ER,ER-alpha,Estradiol receptor,Nuclear receptor subfamily 3 group A member 1
2	E, H, K, L (A, B, C, D)	(2S)-3-(3-hydroxyphenyl)-2-(4-iodophenyl)-4-methyl-2H-1-benzopyran-6-ol	non-polymer		456.3	4	Chemie (G9J)
3	F (A)	NICKEL (II) ION	non-polymer		58.7	1	Chemie (NI)
4	G, M (B, D)	(8S)-8-(4-{2-[3-(fluoromethyl)azetidin-1-yl]ethoxy}phenyl)-1,8-dihydro-2H-[1]benzopyrano[4,3-d][1]benzoxepine-5,11-diol	non-polymer		489.5	2	Chemie (G91)
5	I, J, N (B, D)	GLYCEROL	non-polymer		92.1	3	Chemie (GOL)
6	O, P, Q, R (A, B, C, D)	water	water		18.0	45	Chemie (HOH)

Sequence modifications

A, B, C, D: 298 - 553 (UniProt: P03372)

PDB	External Database	Details
Met 274	-	initiating methionine
His 275	-	expression tag
His 276	-	expression tag
His 277	-	expression tag
His 278	-	expression tag
His 279	-	expression tag
His 280	-	expression tag
Ser 281	-	expression tag
Ser 282	-	expression tag
Gly 283	-	expression tag
Val 284	-	expression tag
Asp 285	-	expression tag
Leu 286	-	expression tag
Gly 287	-	expression tag
Thr 288	-	expression tag
Glu 289	-	expression tag
Asn 290	-	expression tag
Leu 291	-	expression tag
Tyr 292	-	expression tag
Phe 293	-	expression tag
Gln 294	-	expression tag
Ser 295	-	expression tag
Asn 296	-	expression tag
Ala 297	-	expression tag
Ser 372	Leu 372	conflict
Ser 536	Leu 536	conflict

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	127921.2
Non-Polymers*	Number of molecules	10
	Total formula weight	3139.1
All*	Total formula weight	131060.3

*Water molecules are not included.