2OCF

Human estrogen receptor alpha ligand-binding domain in complex with estradiol and the E2#23 FN3 monobody

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	298	33679.2	1	UniProt (P03372) Pfam (PF00104) Pfam (PF12743) In PDB	Homo sapiens (human)	ER, Estradiol receptor, ER-alpha
2	D	Fibronectin	polymer	121	13245.8	1	UniProt (P02751) Pfam (PF00041) In PDB	Homo sapiens (human)	FN, Cold-insoluble globulin, CIG
3	A	ESTRADIOL	non-polymer		272.4	1	Chemie (EST)
4		water	water		18.0	11	Chemie (HOH)

Sequence modifications

A: 298 - 595 (UniProt: P03372)

PDB	External Database	Details
Cme 381	Cys 381	modified residue
Cme 417	Cys 417	modified residue
Ser 537	Tyr 537	engineered mutation

D: 1 - 94 (UniProt: P02751)

PDB	External Database	Details
Met -26	-	insertion
Lys -25	-	expression tag
His -24	-	expression tag
His -23	-	expression tag
His -22	-	expression tag
His -21	-	expression tag
His -20	-	expression tag
His -19	-	expression tag
Ser -18	-	expression tag
Ser -17	-	expression tag
Asp -16	-	expression tag
Tyr -15	-	expression tag
Lys -14	-	expression tag
Asp -13	-	expression tag
Asp -12	-	expression tag
Asp -11	-	expression tag
Asp -10	-	expression tag
Lys -9	-	expression tag
Gly -8	-	expression tag
Glu -7	-	expression tag
Asn -6	-	expression tag
Leu -5	-	expression tag
Tyr -4	-	expression tag
Phe -3	-	expression tag
Gln -2	-	expression tag
Gly -1	-	expression tag
Ser 0	-	expression tag
Thr 6	Arg 1452	engineered mutation
Lys 7	Asp 1453	engineered mutation
Leu 78	Arg 1524	engineered mutation
Arg 79	Gly 1525	engineered mutation
Leu 80	Asp 1526	engineered mutation
Met 81	Ser 1527	engineered mutation
Leu 82	Pro 1528	engineered mutation
Gly 84	Ser 1530	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	46925.0
Non-Polymers*	Number of molecules	1
	Total formula weight	272.4
All*	Total formula weight	47197.4

*Water molecules are not included.