4MG7

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

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	29086.2	1	UniProt (P03372) Pfam (PF00104)	Homo sapiens (human)	ER, ER-alpha, Estradiol receptor, Nuclear receptor subfamily 3 group A member 1
3	C, D (C, D)	Nuclear receptor coactivator 1	polymer	13	1591.9	2	UniProt (Q15788)	Homo sapiens	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, G (A, B)	ferutinine	non-polymer		358.5	2	Chemie (27H) PubChem (16397864) PubChem (1776752) PubChem (354654) PubChem (389018) PubChem (496289) PubChem (1550000) PubChem (91747167) PubChem (6560274) PubChem (6993203) PubChem (7081864) PubChem (7762217) PubChem (101021446) PubChem (6993609) PubChem (7020449) PubChem (9798885) PubChem (11862145) PubChem (11874461) PubChem (162913222) PubChem (146158865)
5	F, H (A, B)	1,2-ETHANEDIOL	non-polymer		62.1	2	Chemie (EDO)
6	I, J, K, L (A, B, C, D)	water	water		18.0	263	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	61324.2
Non-Polymers*	Number of molecules	4
	Total formula weight	841.1
All*	Total formula weight	62165.3

*Water molecules are not included.