7E2E

Crystal structure of the Estrogen-Related Receptor alpha (ERRalpha) ligand-binding domain (LBD) in complex with an agonist DS45500853 and a PGC-1alpha peptide

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, C (A, B)	Steroid hormone receptor ERR1	polymer	245	26894.1	2	UniProt (P11474) Pfam (PF00104)	Homo sapiens (Human)	Estrogen receptor-like 1,Estrogen-related receptor alpha,ERR-alpha,Nuclear receptor subfamily 3 group B member 1
2	B, D (P, Q)	Peroxisome proliferator-activated receptor gamma coactivator 1-alpha	polymer	12	1393.6	2	UniProt (Q9UBK2)	Homo sapiens	PPARGC-1-alpha,Ligand effect modulator 6
3	E, G (A, B)	1-[4-(3-tert-butyl-4-oxidanyl-phenoxy)phenyl]ethanone	non-polymer		284.4	2	Chemie (HVO)
4	F (P)	IODIDE ION	non-polymer		126.9	1	Chemie (IOD)
5	H, I (A, B)	water	water		18.0	7	Chemie (HOH)

Sequence modifications

A, B: 290 - 519 (UniProt: P11474)

PDB	External Database	Details
Met 275	-	initiating methionine
Arg 276	-	expression tag
Gly 277	-	expression tag
Ser 278	-	expression tag
His 279	-	expression tag
His 280	-	expression tag
His 281	-	expression tag
His 282	-	expression tag
His 283	-	expression tag
His 284	-	expression tag
Gly 285	-	expression tag
Ile 286	-	expression tag
Pro 287	-	expression tag
Glu 288	-	expression tag
Phe 289	-	expression tag

P, Q: 205 - 216 (UniProt: Q9UBK2)

PDB	External Database	Details
Ala 207	Cys 207	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	56575.4
Non-Polymers*	Number of molecules	3
	Total formula weight	695.6
All*	Total formula weight	57271.0

*Water molecules are not included.