6O3I

Crystal Structure of Human IDO1 bound to navoximod (NLG-919)

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	420	47410.3	2	UniProt (P14902) Pfam (PF01231)	Homo sapiens (Human)	IDO-1,Indoleamine-pyrrole 2,3-dioxygenase
2	C, E (A, B)	PROTOPORPHYRIN IX CONTAINING FE	non-polymer		616.5	2	Chemie (HEM)
3	D, F (A, B)	trans-4-{(1R)-2-[(5S)-6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl]-1-hydroxyethyl}cyclohexan-1-ol	non-polymer		316.4	2	Chemie (LKP)
4	G, H (A, B)	water	water		18.0	91	Chemie (HOH)

Sequence modifications

A, B: 2 - 403 (UniProt: P14902)

PDB	External Database	Details
Met -14	-	initiating methionine
His -13	-	expression tag
His -12	-	expression tag
His -11	-	expression tag
His -10	-	expression tag
His -9	-	expression tag
His -8	-	expression tag
Gly -7	-	expression tag
Glu -6	-	expression tag
Asn -5	-	expression tag
Leu -4	-	expression tag
Tyr -3	-	expression tag
Phe -2	-	expression tag
Gln -1	-	expression tag
Gly 0	-	expression tag
Ser 1	-	expression tag
Asn 404	-	expression tag
Ser 405	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	94820.6
Non-Polymers*	Number of molecules	4
	Total formula weight	1865.7
All*	Total formula weight	96686.3

*Water molecules are not included.