5TI9

Crystal structure of human TDO in complex with Trp and dioxygen, Northeast Structural Genomics Consortium Target HR6161

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	Tryptophan 2,3-dioxygenase	polymer	380	45182.5	4	UniProt (P48775) Pfam (PF03301) In PDB	Homo sapiens (Human)	TDO,Tryptamin 2,3-dioxygenase,Tryptophan oxygenase,TRPO,Tryptophan pyrrolase,Tryptophanase
2	A, B	OXYGEN MOLECULE	non-polymer		32.0	2	Chemie (OXY)
3	A, B, C, D	PROTOPORPHYRIN IX CONTAINING FE	non-polymer		616.5	4	Chemie (HEM)
4	A, B, C, D	TRYPTOPHAN	non-polymer		204.2	6	Chemie (TRP)
5	A, B	PHOSPHATE ION	non-polymer		95.0	2	Chemie (PO4)
6	C, D	N'-Formylkynurenine	non-polymer		236.2	2	Chemie (NFK)
7		water	water		18.0	436	Chemie (HOH)

Sequence modifications

A, B, C, D: 18 - 389 (UniProt: P48775)

PDB	External Database	Details
Met 17	-	initiating methionine
Glu 390	-	expression tag
His 391	-	expression tag
His 392	-	expression tag
His 393	-	expression tag
His 394	-	expression tag
His 395	-	expression tag
His 396	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	180730.1
Non-Polymers*	Number of molecules	16
	Total formula weight	4417.7
All*	Total formula weight	185147.8

*Water molecules are not included.