6DPR

Mapping the binding trajectory of a suicide inhibitor in human indoleamine 2,3-dioxygenase 1

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	Indoleamine 2,3-dioxygenase 1	polymer	424	47704.8	2	UniProt (P14902) Pfam (PF01231) In PDB	Homo sapiens (Human)	IDO-1, Indoleamine-pyrrole 2,3-dioxygenase
2	A	PROTOPORPHYRIN IX CONTAINING FE	non-polymer		616.5	1	Chemie (HEM)
3	A, B	(2R)-N-(4-chlorophenyl)-2-[cis-4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide	non-polymer		410.9	2	Chemie (H7P)
4	A, B	1,2-ETHANEDIOL	non-polymer		62.1	6	Chemie (EDO)
5		water	water		18.0	58	Chemie (HOH)

Sequence modifications

A, B: 13 - 403 (UniProt: P14902)

PDB	External Database	Details
Met 12	-	initiating methionine
Lys 404	-	expression tag
Gly 405	-	expression tag
Glu 406	-	expression tag
Leu 407	-	expression tag
Asn 408	-	expression tag
Ser 409	-	expression tag
Lys 410	-	expression tag
Leu 411	-	expression tag
Glu 412	-	expression tag
Gly 413	-	expression tag
Lys 414	-	expression tag
Pro 415	-	expression tag
Ile 416	-	expression tag
Pro 417	-	expression tag
Asn 418	-	expression tag
Pro 419	-	expression tag
Leu 420	-	expression tag
Leu 421	-	expression tag
Gly 422	-	expression tag
Leu 423	-	expression tag
Asp 424	-	expression tag
Ser 425	-	expression tag
Thr 426	-	expression tag
Arg 427	-	expression tag
Thr 428	-	expression tag
Gly 429	-	expression tag
His 430	-	expression tag
His 431	-	expression tag
His 432	-	expression tag
His 433	-	expression tag
His 434	-	expression tag
His 435	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	95409.7
Non-Polymers*	Number of molecules	9
	Total formula weight	1810.7
All*	Total formula weight	97220.4

*Water molecules are not included.