5DX3

Estrogen Receptor Alpha Ligand Binding Domain Y537S Mutant in Complex with Stapled Peptide SRC2-P3 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 (A)	Estrogen receptor	polymer	261	29774.1	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	261	29802.2	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)	Stapled Peptide SRC2-P3	polymer	13	1429.7	2	UniProt (Q15596)	Homo sapiens
4	E, G (A, B)	ESTRADIOL	non-polymer		272.4	2	Chemie (EST)
5	F (A)	CHLORIDE ION	non-polymer		35.5	1	Chemie (CL)
6	H, I, J, K (A, B, C, D)	water	water		18.0	140	Chemie (HOH)

Sequence modifications

A: 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

B: 297 - 554 (UniProt: P03372)

PDB	External Database	Details
Met 294	-	initiating methionine
Asp 295	-	expression tag
Pro 296	-	expression tag
Met 417	Cys 417	conflict
Ser 537	Tyr 537	engineered mutation

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

PDB	External Database	Details
Ace 1	-	expression tag
5gm 4	Ile 689	conflict
Nh2 13	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	62435.8
Non-Polymers*	Number of molecules	3
	Total formula weight	580.2
All*	Total formula weight	63016.0

*Water molecules are not included.