5JMM

Crystal structure of hERa-LBD (Y537S) in complex with biochanin A

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Estrogen receptor	polymer	255	29054.2	1	UniProt (P03372) Pfam (PF00104)	Homo sapiens (Human)	ER,ER-alpha,Estradiol receptor,Nuclear receptor subfamily 3 group A member 1
2	B (B)	Estrogen receptor	polymer	255	29070.2	1	UniProt (P03372) Pfam (PF00104)	Homo sapiens (Human)	ER,ER-alpha,Estradiol receptor,Nuclear receptor subfamily 3 group A member 1
3	C, D (F, G)	Nuclear receptor coactivator 1	polymer	13	1591.9	2	UniProt (Q15788)	Homo sapiens (Human)	NCoA-1,Class E basic helix-loop-helix protein 74,bHLHe74,Protein Hin-2,RIP160,Renal carcinoma antigen NY-REN-52,Steroid receptor coactivator 1,SRC-1
4	E, F (A, B)	5,7-dihydroxy-3-(4-methoxyphenyl)-4H-chromen-4-one	non-polymer		284.3	2	Chemie (QSO)
5	G, I (B)	GLYCEROL	non-polymer		92.1	2	Chemie (GOL)
6	H (B)	1,2-ETHANEDIOL	non-polymer		62.1	1	Chemie (EDO)
7	J, K, L, M (A, B, F, G)	water	water		18.0	165	Chemie (HOH)

Sequence modifications

A: 302 - 552 (UniProt: P03372)

PDB	External Database	Details
Gly 298	-	expression tag
Ser 299	-	expression tag
His 300	-	expression tag
Met 301	-	expression tag
Ser 537	Tyr 537	engineered mutation

B: 302 - 552 (UniProt: P03372)

PDB	External Database	Details
Gly 298	-	expression tag
Ser 299	-	expression tag
His 300	-	expression tag
Met 301	-	expression tag
Ser 537	Tyr 537	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	61308.2
Non-Polymers*	Number of molecules	5
	Total formula weight	814.8
All*	Total formula weight	62123.0

*Water molecules are not included.