7P0N

Crystal structure of L-Trp/Indoleamine 2,3-dioxygenagse 1 (hIDO1) complex with the JK-loop refined in the open conformation

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, D (A, B, C, D)	Indoleamine 2,3-dioxygenase 1	polymer	405	45300.9	4	UniProt (P14902) Pfam (PF01231)	Homo sapiens (Human)	IDO-1,Indoleamine-pyrrole 2,3-dioxygenase
2	E, IA, O, W (A, D, B, C)	PROTOPORPHYRIN IX CONTAINING FE	non-polymer		616.5	4	Chemie (HEM)
3	F, JA, KA, X (A, D, C)	N'-Formylkynurenine	non-polymer		236.2	4	Chemie (NFK)
4	G, Z (A, C)	PHOSPHATE ION	non-polymer		95.0	2	Chemie (PO4)
5	AA, BA, CA, DA, EA... (C, A, D, B)	GLYCEROL	non-polymer		92.1	21	Chemie (GOL)
6	N, QA, V (A, D, B)	OXYGEN MOLECULE	non-polymer		32.0	3	Chemie (OXY)
7	LA, MA, Y (D, C)	TRYPTOPHAN	non-polymer		204.2	3	Chemie (TRP)
8	HA, PA (C, D)	CHLORIDE ION	non-polymer		35.5	2	Chemie (CL)
9	RA, SA, TA, UA (A, B, C, D)	water	water		18.0	492	Chemie (HOH)

Sequence modifications

A, B, C, D: 15 - 403 (UniProt: P14902)

PDB	External Database	Details
Met -1	-	initiating methionine
Gly 0	-	expression tag
Ser 1	-	expression tag
Ser 2	-	expression tag
His 3	-	expression tag
His 4	-	expression tag
His 5	-	expression tag
His 6	-	expression tag
His 7	-	expression tag
His 8	-	expression tag
Ser 9	-	expression tag
Ser 10	-	expression tag
Gly 11	-	expression tag
Ser 12	-	expression tag
Ala 13	-	expression tag
Ala 14	-	expression tag
Ala 116	Lys 116	engineered mutation
Ala 117	Lys 117	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	181203.6
Non-Polymers*	Number of molecules	39
	Total formula weight	6314.3
All*	Total formula weight	187517.9

*Water molecules are not included.