6A4I

Crystal Structure of human TDO inhibitor complex

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	391	46169.6	4	UniProt (P48775) Pfam (PF03301)	Homo sapiens (Human)	TDO,Tryptamin 2,3-dioxygenase,Tryptophan oxygenase,TRPO,Tryptophan pyrrolase,Tryptophanase
2	E, I, L, N (A, B, C, D)	PROTOPORPHYRIN IX CONTAINING FE	non-polymer		616.5	4	Chemie (HEM)
3	F, J, M, O (A, B, C, D)	1-(6-chloro-1H-indazol-4-yl)cyclohexan-1-ol	non-polymer		250.7	4	Chemie (9R9)
4	G, K, P (A, B, D)	TRYPTOPHAN	non-polymer		204.2	3	Chemie (TRP)
5	H (A)	CITRIC ACID	non-polymer		192.1	1	Chemie (CIT)

Sequence modifications

A, B, C, D: 19 - 388 (UniProt: P48775)

PDB	External Database	Details
Met -2	-	expression tag
Gly -1	-	expression tag
Ser 0	-	expression tag
Ser 1	-	expression tag
His 2	-	expression tag
His 3	-	expression tag
His 4	-	expression tag
His 5	-	expression tag
His 6	-	expression tag
His 7	-	expression tag
Ser 8	-	expression tag
Ser 9	-	expression tag
Gly 10	-	expression tag
Leu 11	-	expression tag
Val 12	-	expression tag
Pro 13	-	expression tag
Arg 14	-	expression tag
Gly 15	-	expression tag
Ser 16	-	expression tag
His 17	-	expression tag
Met 18	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	184678.4
Non-Polymers*	Number of molecules	12
	Total formula weight	4273.6
All*	Total formula weight	188952.1

*Water molecules are not included.