5AK2

Oxyphenylpropenoic acids as Oral Selective Estrogen Receptor Down- Regulators.

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	268	30581.6	2	UniProt (P03372) Pfam (PF00104)	HOMO SAPIENS (HUMAN)	ER, ER-ALPHA, ESTRADIOL RECEPTOR, NUCLEAR RECEPTOR SUBFAMILY 3 GROUP A MEMBER 1, ESTROGEN RECEPTOR ALPHA
2	C, D (A, B)	(E)-3-[4-[[3-(4-fluoranyl-2-methyl-phenyl)-7-oxidanyl-2-oxidanylidene-chromen-4-yl]methyl]phenyl]prop-2-enoic acid	non-polymer		430.4	2	Chemie (85Z)
3	E, F (A, B)	water	water		18.0	142	Chemie (HOH)

Sequence modifications

A, B: 307 - 554 (UniProt: P03372)

PDB	External Database	Details
Met 287	-	expression tag
His 288	-	expression tag
His 289	-	expression tag
His 290	-	expression tag
His 291	-	expression tag
His 292	-	expression tag
His 293	-	expression tag
Gly 294	-	expression tag
Gly 295	-	expression tag
Gly 296	-	expression tag
Glu 297	-	expression tag
Asn 298	-	expression tag
Leu 299	-	expression tag
Tyr 300	-	expression tag
Phe 301	-	expression tag
Gln 302	-	expression tag
Gly 303	-	expression tag
Ser 304	-	expression tag
His 305	-	expression tag
Met 306	-	expression tag
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	61163.2
Non-Polymers*	Number of molecules	2
	Total formula weight	860.8
All*	Total formula weight	62024.0

*Water molecules are not included.