9ESD

Holo TDO with a bound inhibitor

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 (A, B, C, D)	Tryptophan 2,3-dioxygenase	polymer	365	43304.7	4	UniProt (P20351) Pfam (PF03301)	Drosophila melanogaster (fruit fly)	TDO,Protein vermilion,Tryptamin 2,3-dioxygenase,Tryptophan oxygenase,TO,TRPO,Tryptophan pyrrolase,Tryptophanase
2	E, G, I, K (A, B, C, D)	PROTOPORPHYRIN IX CONTAINING FE	non-polymer		616.5	4	Chemie (HEM)
3	F, H, J, L (A, B, C, D)	(1~{R})-1-cyclohexyl-2-[(5~{S})-5~{H}-imidazo[1,5-b]isoindol-5-yl]ethanol	non-polymer		282.4	4	Chemie (5PK)
4	M, N, O, P (A, B, C, D)	water	water		18.0	58	Chemie (HOH)

Sequence modifications

A, B, C, D: 24 - 379 (UniProt: P20351)

PDB	External Database	Details
Met 23	-	initiating methionine
Leu 380	-	expression tag
Glu 381	-	expression tag
His 382	-	expression tag
His 383	-	expression tag
His 384	-	expression tag
His 385	-	expression tag
His 386	-	expression tag
His 387	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	173218.7
Non-Polymers*	Number of molecules	8
	Total formula weight	3595.5
All*	Total formula weight	176814.1

*Water molecules are not included.