7JH2

CRYSTAL STRUCTURE OF RAR-RELATED ORPHAN RECEPTOR C IN COMPLEX WITH A POTENT, SELECTIVE AND ORALLY BIOAVAILABLE ROR-GAMMA-T INVERSE AGONIST

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	Nuclear receptor ROR-gamma	polymer	265	30711.5	2	UniProt (P51449) Pfam (PF00104) In PDB	Homo sapiens (Human)	Nuclear receptor RZR-gamma, Nuclear receptor subfamily 1 group F member 3, RAR-related orphan receptor C, Retinoid-related orphan receptor-gamma
2	A, B	2-({[2-(4-{(3R)-1-(4-acetylpiperazine-1-carbonyl)-3-[(4-fluorophenyl)sulfonyl]pyrrolidin-3-yl}phenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]oxy}methyl)-3-fluorobenzonitrile	non-polymer		758.7	2	Chemie (VBG)
3	A, B	SULFATE ION	non-polymer		96.1	2	Chemie (SO4)
4		water	water		18.0	65	Chemie (HOH)

Sequence modifications

A, B: 244 - 487 (UniProt: P51449)

PDB	External Database	Details
Met 223	-	expression tag
Gly 224	-	expression tag
Ser 225	-	expression tag
Ser 226	-	expression tag
His 227	-	expression tag
His 228	-	expression tag
His 229	-	expression tag
His 230	-	expression tag
His 231	-	expression tag
His 232	-	expression tag
Ser 233	-	expression tag
Ser 234	-	expression tag
Gly 235	-	expression tag
Leu 236	-	expression tag
Val 237	-	expression tag
Pro 238	-	expression tag
Arg 239	-	expression tag
Gly 240	-	expression tag
Ser 241	-	expression tag
His 242	-	expression tag
Met 243	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	61422.9
Non-Polymers*	Number of molecules	4
	Total formula weight	1709.5
All*	Total formula weight	63132.4

*Water molecules are not included.