7M7D

Crystal structure of the indoleamine 2,3-dioxygenagse 1 (IDO1) complexed with IACS-8968

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)	Indoleamine 2,3-dioxygenase 1	polymer	411	46295.3	2	UniProt (P14902) Pfam (PF01231)	Homo sapiens (Human)	IDO-1,Indoleamine-pyrrole 2,3-dioxygenase
2	C, E (A, B)	(5S)-6,6-dimethyl-8-[(4S)-7-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione	non-polymer		381.4	2	Chemie (YRM)
3	D, F (A, B)	PROTOPORPHYRIN IX CONTAINING FE	non-polymer		616.5	2	Chemie (HEM)
4	G, H (A, B)	water	water		18.0	7	Chemie (HOH)

Sequence modifications

A, B: 11 - 403 (UniProt: P14902)

PDB	External Database	Details
Met -7	-	initiating methionine
His -6	-	expression tag
His -5	-	expression tag
His -4	-	expression tag
His -3	-	expression tag
His -2	-	expression tag
His -1	-	expression tag
Ser 0	-	expression tag
Ser 1	-	expression tag
Gly 2	-	expression tag
Leu 3	-	expression tag
Val 4	-	expression tag
Pro 5	-	expression tag
Arg 6	-	expression tag
Gly 7	-	expression tag
Ser 8	-	expression tag
His 9	-	expression tag
Met 10	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	92590.5
Non-Polymers*	Number of molecules	4
	Total formula weight	1995.7
All*	Total formula weight	94586.2

*Water molecules are not included.