4MGA

Crystal structure of hERa-LBD (Y537S) in complex with 4-tert-octylphenol

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	29070.2	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, F (A, B)	4-(2,4,4-trimethylpentan-2-yl)phenol	non-polymer		206.3	2	Chemie (27L)
5	G, H, I, J (A, B, C, D)	water	water		18.0	233	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	61340.2
Non-Polymers*	Number of molecules	2
	Total formula weight	412.6
All*	Total formula weight	61752.8

*Water molecules are not included.