7E45

Crystal structure of compound 7 bound to MIF

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B, C (A, B, C)	Macrophage migration inhibitory factor	polymer	114	12355.1	3	UniProt (P14174) Pfam (PF01187)	Homo sapiens (Human)	MIF,Glycosylation-inhibiting factor,GIF,L-dopachrome isomerase,L-dopachrome tautomerase,Phenylpyruvate tautomerase
2	D, E, F, G, H... (A, B, C)	CHLORIDE ION	non-polymer		35.5	13	Chemie (CL) PubChem (312)
3	N (B)	(2R)-7-[(2R,3R,4R,5S,6S)-6-(hydroxymethyl)-3-[(2R,3R,4R,5R,6S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4,5-bis(oxidanyl)oxan-2-yl]oxy-2-(4-methoxy-3-oxidanyl-phenyl)-5-oxidanyl-2,3-dihydrochromen-4-one	non-polymer		610.6	1	Chemie (HWO) PubChem (17751030) PubChem (73395) PubChem (442439) PubChem (42608011) PubChem (24211957) PubChem (45358138) PubChem (53298490) PubChem (57486164) PubChem (232990) PubChem (91820153) PubChem (457806) PubChem (94435752) PubChem (94435753) PubChem (94435754) PubChem (94435755) PubChem (98072763) PubChem (98072764) PubChem (98072765) PubChem (98072766) PubChem (124511252) PubChem (124805604) PubChem (124805606) PubChem (124903219) PubChem (129426478) PubChem (129627747) PubChem (121540473) PubChem (122173139) PubChem (124518449) PubChem (124744683) PubChem (124744684) PubChem (124744685) PubChem (124744686) PubChem (124805605) PubChem (124805607) PubChem (124903220) PubChem (124903221) PubChem (124903222) PubChem (129426479) PubChem (140847018) PubChem (154497077) PubChem (163040108) PubChem (163040107) PubChem (138107793) PubChem (166607335) PubChem (156806358) PubChem (163040106) PubChem (164711225) PubChem (167377581) PubChem (171156716) PubChem (173745701)
4	R, S, T (A, B, C)	water	water		18.0	410	Chemie (HOH)

Contents of the asymmetric unit

Polymers	Number of chains	3
	Total formula weight	37065.2
Non-Polymers*	Number of molecules	14
	Total formula weight	1071.5
All*	Total formula weight	38136.6

*Water molecules are not included.