6CXV

Structure of the S167H mutant of human indoleamine 2,3 dioxygenase in complex with tryptophan and cyanide

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	425	47843.0	2	UniProt (P14902) Pfam (PF01231) In PDB	Homo sapiens (Human)	IDO-1, Indoleamine-pyrrole 2,3-dioxygenase
2	A, B	PROTOPORPHYRIN IX CONTAINING FE	non-polymer		616.5	2	Chemie (HEM)
3	A, B	CYANIDE ION	non-polymer		26.0	2	Chemie (CYN)
4	A, B	TRYPTOPHAN	non-polymer		204.2	2	Chemie (TRP)
5	A, B	2-(1H-indol-3-yl)ethanol	non-polymer		161.2	2	Chemie (ZCW)
6		water	water		18.0	228	Chemie (HOH)

Sequence modifications

A, B: 12 - 403 (UniProt: P14902)

PDB	External Database	Details
Met 11	-	initiating methionine
His 167	Ser 167	engineered mutation
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	95686.0
Non-Polymers*	Number of molecules	8
	Total formula weight	2015.9
All*	Total formula weight	97701.8

*Water molecules are not included.