7M41

Structure of TIM-3 in complex with N-(4-(8-chloro-2-methyl-5-oxo-5,6-dihydro-[1,2,4]traizolo[1,5-c]quinazolin-9-yl)-3-methylphenyl)-1H-imidazole-2-sulfonamide (compound 38)

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)	Hepatitis A virus cellular receptor 2	polymer	109	12298.0	2	UniProt (Q8TDQ0) Pfam (PF07686)	Homo sapiens (Human)	HAVcr-2,T-cell immunoglobulin and mucin domain-containing protein 3,TIMD-3,T-cell immunoglobulin mucin receptor 3,TIM-3,T-cell membrane protein 3
2	C, E (A, B)	N-{4-[(4S,10aP)-8-chloro-2-methyl-5-oxo-5,6-dihydro[1,2,4]triazolo[1,5-c]quinazolin-9-yl]-3-methylphenyl}-1H-imidazole-2-sulfonamide	non-polymer		469.9	2	Chemie (YQG)
3	D, F (A, B)	CALCIUM ION	non-polymer		40.1	2	Chemie (CA)
4	G, H (A, B)	water	water		18.0	234	Chemie (HOH)

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	24596.0
Non-Polymers*	Number of molecules	4
	Total formula weight	1020.0
All*	Total formula weight	25616.0

*Water molecules are not included.