4NIE

Crystal structure of the orphan nuclear receptor ROR(gamma)t ligand-binding domain in complex with small molecule ligand

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	262	30627.5	2	UniProt (P51449) Pfam (PF00104) In PDB	Homo sapiens (human)	Nuclear receptor RZR-gamma, Nuclear receptor subfamily 1 group F member 3, Retinoid-related orphan receptor-gamma
2	C, D	Peptide from Nuclear receptor coactivator 2	polymer	12	1492.8	2	UniProt (E7EWM1) UniProt (by SIFTS) (Q15596) In PDB	Homo sapiens
3	A, B	N-(4-{[benzyl(propyl)amino]methyl}phenyl)-2-[4-(ethylsulfonyl)phenyl]acetamide	non-polymer		464.6	2	Chemie (NBH)
4	A, B	3-[BENZYL(DIMETHYL)AMMONIO]PROPANE-1-SULFONATE	non-polymer		257.3	2	Chemie (DMX)
5		water	water		18.0	189	Chemie (HOH)

Sequence modifications

A, B: 263 - 509 (UniProt: P51449)

PDB	External Database	Details
Met 248	-	expression tag
Lys 249	-	expression tag
Lys 250	-	expression tag
His 251	-	expression tag
His 252	-	expression tag
His 253	-	expression tag
His 254	-	expression tag
His 255	-	expression tag
His 256	-	expression tag
Leu 257	-	expression tag
Val 258	-	expression tag
Pro 259	-	expression tag
Arg 260	-	expression tag
Gly 261	-	expression tag
Ser 262	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	64240.5
Non-Polymers*	Number of molecules	4
	Total formula weight	1443.9
All*	Total formula weight	65684.4

*Water molecules are not included.