4WQP

Crystal structure of RORc in complex with a benzyl sulfonamide 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 (A, B)	Nuclear receptor ROR-gamma	polymer	265	30853.5	2	UniProt (P51449) Pfam (PF00104)	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	C (P)	VAL-GLU-ARG-LEU-GLN-ILE-PHE-GLN-HIS-LEU-HIS-PRO-ILE	polymer	13	1632.9	1	UniProt (by SIFTS) (P51449)	Homo sapiens
3	D, F (A, B)	N-[4-(4-acetylpiperazin-1-yl)benzyl]-N-(2-methylpropyl)-1-phenylmethanesulfonamide	non-polymer		443.6	2	Chemie (3SX)
4	E, G (A, B)	SULFATE ION	non-polymer		96.1	2	Chemie (SO4)
5	H, I, J (A, B, P)	water	water		18.0	251	Chemie (HOH)

Sequence modifications

A, B: 262 - 507 (UniProt: P51449)

PDB	External Database	Details
Met 246	-	initiating methionine
His 247	-	expression tag
His 248	-	expression tag
His 249	-	expression tag
His 250	-	expression tag
His 251	-	expression tag
His 252	-	expression tag
Gly 253	-	expression tag
Glu 254	-	expression tag
Asn 255	-	expression tag
Leu 256	-	expression tag
Tyr 257	-	expression tag
Phe 258	-	expression tag
Gln 259	-	expression tag
Gly 260	-	expression tag
Ser 261	-	expression tag
Gly 508	-	expression tag
Asn 509	-	expression tag
Ser 510	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	3
	Total formula weight	63339.9
Non-Polymers*	Number of molecules	4
	Total formula weight	1079.3
All*	Total formula weight	64419.3

*Water molecules are not included.