8VTQ

Crystal Structure of human Tryptophan 2,3-dioxygenase in complex with PPN3 inhibitor

This is a non-PDB format compatible entry.

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, C, D	PROTOPORPHYRIN IX CONTAINING FE	non-polymer		616.5	4	Chemie (HEM)
3	A, B, C, D	alpha-methyl-L-tryptophan	non-polymer		218.3	4	Chemie (ZIQ)
4	A, B, C, D	(6M)-6-(1H-indol-3-yl)-1-[(piperidin-4-yl)methyl]-1H-benzotriazole	non-polymer		331.4	4	Chemie (A1ADX)
5		water	water		18.0	146	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	12
	Total formula weight	4664.6
All*	Total formula weight	185394.8

*Water molecules are not included.