5APK

Ligand complex of RORg LBD

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	30918.5	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, RORG
2	C (D)	NUCLEAR RECEPTOR ROR-GAMMA	polymer	13	1632.9	1	UniProt (P51449)	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, RORG
3	D, E (A, B)	2-CHLORO-6-FLUORO-N-[4-[3-(TRIFLUOROMETHYL)PHENYL]SULFONYL-3,5-DIHYDRO-2H-1,4-BENZOXAZEPIN-7-YL]BENZAMIDE	non-polymer		528.9	2	Chemie (76E)
4	F, G, H (A, B, D)	water	water		18.0	303	Chemie (HOH)

Sequence modifications

A, B: 265 - 507 (UniProt: P51449)

PDB	External Database	Details
Met 243	-	expression tag
His 244	-	expression tag
Asn 245	-	expression tag
His 246	-	expression tag
Asn 247	-	expression tag
His 248	-	expression tag
Asn 249	-	expression tag
His 250	-	expression tag
Asn 251	-	expression tag
His 252	-	expression tag
Asn 253	-	expression tag
His 254	-	expression tag
Asn 255	-	expression tag
Gly 256	-	expression tag
Gly 257	-	expression tag
Glu 258	-	expression tag
Asn 259	-	expression tag
Leu 260	-	expression tag
Tyr 261	-	expression tag
Phe 262	-	expression tag
Gln 263	-	expression tag
Gly 264	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	3
	Total formula weight	63469.9
Non-Polymers*	Number of molecules	2
	Total formula weight	1057.8
All*	Total formula weight	64527.7

*Water molecules are not included.