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	Estrogen receptor	polymer	255	29054.2	1	UniProt (P03372) Pfam (PF00104) In PDB	Homo sapiens (human)	ER, ER-alpha, Estradiol receptor, Nuclear receptor subfamily 3 group A member 1
2	B	Estrogen receptor	polymer	255	29086.2	1	UniProt (P03372) Pfam (PF00104) In PDB	Homo sapiens (human)	ER, ER-alpha, Estradiol receptor, Nuclear receptor subfamily 3 group A member 1
3	C, D	Nuclear receptor coactivator 1	polymer	13	1591.9	2	UniProt (Q15788) In PDB	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	A, B	ferutinine	non-polymer		358.5	2	Chemie (27H)
5	A, B	1,2-ETHANEDIOL	non-polymer		62.1	2	Chemie (EDO)
6		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.