4TUZ

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

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	29070.2	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	F, G	Nuclear receptor coactivator 1	polymer	13	1591.9	2	UniProt (by SIFTS) (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	(3S,7R,11E)-7,14,16-trihydroxy-3-methyl-3,4,5,6,7,8,9,10-octahydro-1H-2-benzoxacyclotetradecin-1-one	non-polymer		320.4	2	Chemie (36J)
5	A, B	GLYCEROL	non-polymer		92.1	4	Chemie (GOL)
6	A, B	1,2-ETHANEDIOL	non-polymer		62.1	2	Chemie (EDO)
7		water	water		18.0	265	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	8
	Total formula weight	1133.3
All*	Total formula weight	62473.5

*Water molecules are not included.