4WVD

Identification of a novel FXR ligand that regulates metabolism

Replaces:  4II6

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, C (C, D)	Nuclear receptor corepressor 1	polymer	17	1866.2	2	UniProt (O75376)	Homo sapiens	N-CoR1
2	B, D (A, B)	Bile acid receptor	polymer	211	24604.3	2	UniProt (Q96RI1) Pfam (PF00104)	Homo sapiens (Human)	Farnesoid X-activated receptor,Farnesol receptor HRR-1,Nuclear receptor subfamily 1 group H member 4,Retinoid X receptor-interacting protein 14,RXR-interacting protein 14
3	E, F, G, H, J... (A, B)	FORMIC ACID	non-polymer		46.0	8	Chemie (FMT) PubChem (284)
4	I, N (A, B)	(2aE,4E,5'S,6S,6'R,7S,8E,11R,13R,15S,17aR,20R,20aR,20bS)-6'-[(2S)-butan-2-yl]-20,20b-dihydroxy-5',6,8,19-tetramethyl-17 -oxo-3',4',5',6,6',10,11,14,15,17,17a,20,20a,20b-tetradecahydro-2H,7H-spiro[11,15-methanofuro[4,3,2-pq][2,6]benzodioxacy clooctadecine-13,2'-pyran]-7-yl 2,6-dideoxy-4-O-(2,6-dideoxy-3-O-methyl-alpha-L-arabino-hexopyranosyl)-3-O-methyl-alpha-L-arabino-hexopyranoside	non-polymer		875.1	2	Chemie (IVM) PubChem (23307238) PubChem (23307262) PubChem (177678855) PubChem (16760011) PubChem (44393100) PubChem (21584398) PubChem (23307215) PubChem (42648499) PubChem (44306127) PubChem (45114068) PubChem (66509061) PubChem (71308642) PubChem (53384911) PubChem (73438913) PubChem (56603652) PubChem (57182275) PubChem (73952278) PubChem (58594796) PubChem (59707377) PubChem (66577025) PubChem (70678372) PubChem (177065624) PubChem (177678952) PubChem (51025) PubChem (156069) PubChem (71749648) PubChem (73265241) PubChem (73357349) PubChem (73952283) PubChem (73952837) PubChem (74764330) PubChem (91407038) PubChem (3085416) PubChem (90479776) PubChem (90908120) PubChem (4330618) PubChem (118476986) PubChem (6419971) PubChem (6427057) PubChem (6440492) PubChem (6450358) PubChem (122172888) PubChem (6603890) PubChem (123132485) PubChem (6857963) PubChem (6914288) PubChem (6713922) PubChem (123456077) PubChem (6071412) PubChem (124870644) PubChem (124870718) PubChem (124929025) PubChem (124929026) PubChem (124929023) PubChem (125528694) PubChem (125528697) PubChem (125528696) PubChem (126963352) PubChem (6321424) PubChem (129010219) PubChem (129606809) PubChem (6604429) PubChem (6912779) PubChem (133562698) PubChem (112547093) PubChem (118477994) PubChem (11957587) PubChem (138106966) PubChem (139031854) PubChem (139594279) PubChem (145997404) PubChem (124870719) PubChem (124870720) PubChem (146159550) PubChem (124917050) PubChem (124917051) PubChem (124917052) PubChem (124918216) PubChem (124929024) PubChem (155970341) PubChem (155982218) PubChem (156599123) PubChem (162935621) PubChem (162935625) PubChem (162935623) PubChem (162935627) PubChem (125528695) PubChem (164724784) PubChem (168268469) PubChem (168312921) PubChem (171136628) PubChem (171689455) PubChem (172012500) PubChem (172878361) PubChem (172898004) PubChem (173492688) PubChem (173479738) PubChem (173174423) PubChem (175736172) PubChem (175683861) PubChem (129428148) PubChem (134814451) PubChem (135391144) PubChem (137700388) PubChem (140604781) PubChem (160897442) PubChem (162935622) PubChem (162935624) PubChem (162935626) PubChem (164186531) PubChem (168311793) PubChem (168313290) PubChem (168314662) PubChem (171378396) PubChem (173032036) PubChem (175764533)
5	O, P, Q (A, D, B)	water	water		18.0	11	Chemie (HOH)

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	52940.9
Non-Polymers*	Number of molecules	10
	Total formula weight	2118.4
All*	Total formula weight	55059.3

*Water molecules are not included.