3OMP

Fragment-Based Design of novel Estrogen Receptor Ligands

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	Estrogen receptor beta	polymer	240	27109.1	2	UniProt (Q92731) Pfam (PF00104) In PDB	Homo sapiens (human)	ER-beta, Nuclear receptor subfamily 3 group A member 2
2	C, D	Nuclear receptor coactivator 1	polymer	19	2234.5	2	UniProt (Q15788) In PDB		NCoA-1, Steroid receptor coactivator 1, SRC-1, RIP160, Protein Hin-2, Renal carcinoma antigen NY-REN-52, Class E basic helix-loop-helix protein 74, bHLHe74
3	A, B	2-(trifluoroacetyl)-1,2,3,4-tetrahydroisoquinolin-7-ol	non-polymer		245.2	2	Chemie (W14)
4		water	water		18.0	333	Chemie (HOH)

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	58687.4
Non-Polymers*	Number of molecules	2
	Total formula weight	490.4
All*	Total formula weight	59177.8

*Water molecules are not included.