5DXE

Estrogen Receptor Alpha Ligand Binding Domain Y537S Mutant in Complex with Stapled Peptide SRC2-P4 and Estradiol

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B (A, B)	Estrogen receptor	polymer	261	29912.4	2	UniProt (P03372) Pfam (PF00104)	Homo sapiens (Human)	ER,ER-alpha,Estradiol receptor,Nuclear receptor subfamily 3 group A member 1
2	C, D (C, D)	Nuclear receptor coactivator 2	polymer	13	1415.7	2	UniProt (Q15596)	Homo sapiens	NCoA-2,Class E basic helix-loop-helix protein 75,bHLHe75,Transcriptional intermediary factor 2,hTIF2
3	E, F (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)
4	G, H, I, J (A, B, C, D)	water	water		18.0	398	Chemie (HOH)

Sequence modifications

A, B: 297 - 554 (UniProt: P03372)

PDB	External Database	Details
Met 294	-	initiating methionine
Asp 295	-	expression tag
Pro 296	-	expression tag
Ser 537	Tyr 537	engineered mutation

C, D: 2 - 12 (UniProt: Q15596)

PDB	External Database	Details
Ace 1	-	expression tag
Mk8 4	Ile 689	conflict
Nh2 13	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	62656.2
Non-Polymers*	Number of molecules	2
	Total formula weight	544.8
All*	Total formula weight	63201.0

*Water molecules are not included.