6E42

CRYSTAL STRUCTURE OF HUMAN INDOLEAMINE 2,3-DIOXYGENASE 1 (IDO1) in complex with ferric heme and 4-Chlorophenyl imidazole

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, J, O, U (A, B, C, D)	PROTOPORPHYRIN IX CONTAINING FE	non-polymer		616.5	4	Chemie (HEM)
3	F, G, H, I, K... (A, B, C, D)	4-(3-chlorophenyl)-1H-imidazole	non-polymer		178.6	16	Chemie (HQJ)
4	Y (D)	PHOSPHATE ION	non-polymer		95.0	1	Chemie (PO4)
5	AA, BA, CA, Z (B, C, D, A)	water	water		18.0	295	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	21
	Total formula weight	5418.8
All*	Total formula weight	186622.4

*Water molecules are not included.