3UUD

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

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	251	28656.7	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	251	28656.7	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, G (A, B)	ESTRADIOL	non-polymer		272.4	2	Chemie (EST) PubChem (16757676) PubChem (1807201) PubChem (450) PubChem (177015577) PubChem (5757) PubChem (5998) PubChem (10596) PubChem (14880) PubChem (43912931) PubChem (44284023) PubChem (68570) PubChem (46781508) PubChem (54403267) PubChem (56624791) PubChem (57041922) PubChem (58650893) PubChem (59084698) PubChem (1807200) PubChem (68014581) PubChem (68209947) PubChem (70220248) PubChem (70864205) PubChem (667480) PubChem (667515) PubChem (721867) PubChem (928284) PubChem (1258565) PubChem (5317221) PubChem (91740223) PubChem (5317222) PubChem (5745505) PubChem (6328313) PubChem (6432565) PubChem (6560352) PubChem (6603846) PubChem (101691329) PubChem (6918968) PubChem (6919041) PubChem (7000012) PubChem (7004689) PubChem (7048584) PubChem (7048670) PubChem (118548795) PubChem (7061189) PubChem (7067800) PubChem (9795489) PubChem (9811784) PubChem (9903595) PubChem (9938293) PubChem (12313788) PubChem (11869602) PubChem (11870431) PubChem (12313787) PubChem (12313791) PubChem (12313794) PubChem (162947701) PubChem (166849971) PubChem (126969992) PubChem (129010410) PubChem (129317336) PubChem (130307439) PubChem (130307440) PubChem (143489158) PubChem (144605119) PubChem (145157829) PubChem (145610824) PubChem (154109755) PubChem (172873304)
5	F, H, I (A, B)	GLYCEROL	non-polymer		92.1	3	Chemie (GOL) PubChem (753)
6	J (B)	1,2-ETHANEDIOL	non-polymer		62.1	1	Chemie (EDO)
7	K, L, M, N (A, B, C, D)	water	water		18.0	378	Chemie (HOH)

Sequence modifications

A: 302 - 552 (UniProt: P03372)

PDB	External Database	Details
Ser 537	Tyr 537	engineered mutation

B: 302 - 552 (UniProt: P03372)

PDB	External Database	Details
Ser 537	Tyr 537	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	60497.2
Non-Polymers*	Number of molecules	6
	Total formula weight	883.1
All*	Total formula weight	61380.4

*Water molecules are not included.