7Z2L

Crystal structure of L-Kynurenine in the active site of human Indoleamine-2,3-dioxygenase 1 (hIDO1)

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	Indoleamine 2,3-dioxygenase 1	polymer	405	45300.9	4	UniProt (P14902) Pfam (PF01231) In PDB	Homo sapiens (human)	IDO-1,Indoleamine-pyrrole 2,3-dioxygenase
2	A, B, C, D	PROTOPORPHYRIN IX CONTAINING FE	non-polymer		616.5	4	Chemie (HEM)
3	D, A, B, C	GLYCEROL	non-polymer		92.1	15	Chemie (GOL)
4	A, B	(2S)-2-amino-4-(2-aminophenyl)-4-oxobutanoic acid	non-polymer		208.2	4	Chemie (KYN)
5	B, C	OXYGEN MOLECULE	non-polymer		32.0	2	Chemie (OXY)
6		water	water		18.0	904	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	25
	Total formula weight	4744.2
All*	Total formula weight	185947.8

*Water molecules are not included.