21OO

Crystal structure of the indoleamine 2,3-dioxygenagse 2 (IDO2) H143Y mutant complexed with 5-methyl-L-Trp

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	DNA polymerase I,Indoleamine 2,3-dioxygenase 2	polymer	782	86850.9	1	UniProt (A0ABU7R6J9) UniProt (Q6ZQW0) Pfam (PF01231)	Homo sapiens (human)	IDO-2,Indoleamine 2,3-dioxygenase-like protein 1,Indoleamine-pyrrole 2
2	B (B)	alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose	branched		342.3	1	In PDB BIRD (PRD_900001) GlyTouCan (G07411ON)
3	C, F, G (A)	1,2-ETHANEDIOL	non-polymer		62.1	3	Chemie (EDO)
4	D (A)	PROTOPORPHYRIN IX CONTAINING FE	non-polymer		616.5	1	Chemie (HEM)
5	E (A)	CYANIDE ION	non-polymer		26.0	1	Chemie (CYN) PubChem (5975)
6	H (A)	5-methyl-L-tryptophan	non-polymer		218.3	1	Chemie (D0Q)
7	I (A)	SODIUM ION	non-polymer		23.0	1	Chemie (NA) PubChem (923)
8	J (A)	water	water		18.0	63	Chemie (HOH)

Sequence modifications

A: 0 - 366 (UniProt: A0ABU7R6J9)

PDB	External Database	Details
Met -17	-	initiating methionine
Gly -16	-	expression tag
Ser -15	-	expression tag
Ser -14	-	expression tag
His -13	-	expression tag
His -12	-	expression tag
His -11	-	expression tag
His -10	-	expression tag
His -9	-	expression tag
His -8	-	expression tag
Glu -7	-	expression tag
Asn -6	-	expression tag
Leu -5	-	expression tag
Tyr -4	-	expression tag
Phe -3	-	expression tag
Gln -2	-	expression tag
Gly -1	-	expression tag
Val 312	Ala 333	conflict

A: 367 - 764 (UniProt: Q6ZQW0)

PDB	External Database	Details
Tyr 487	His 130	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	86850.9
Branched	Number of molecules	1
	Total formula weight	342.3
Non-Polymers*	Number of molecules	7
	Total formula weight	1070.0
All*	Total formula weight	88263.1

*Water molecules are not included.