9EZJ

Apo human TDO in complex with a bound inhibitor (Cpd-4)

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 (A, B, C, D)	Tryptophan 2,3-dioxygenase	polymer	403	47747.1	4	UniProt (P48775) Pfam (PF03301)	Homo sapiens (human)	TDO,Tryptamin 2,3-dioxygenase,Tryptophan oxygenase,TO,TRPO,Tryptophan pyrrolase,Tryptophanase
2	E, G, I, K (A, B, C, D)	alpha-methyl-L-tryptophan	non-polymer		218.3	4	Chemie (ZIQ)
3	F, H, J, L (A, B, C, D)	ethyl (9~{R})-2-methoxy-4-oxidanylidene-9-[[(1~{S})-1-phenylethyl]-[(2-propan-2-ylphenyl)carbamoyl]amino]-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-3-carboxylate	non-polymer		532.6	4	Chemie (A1H8G)
4	M, N, O, P (A, B, C, D)	water	water		18.0	8	Chemie (HOH)

Sequence modifications

A, B, C, D: 19 - 406 (UniProt: P48775)

PDB	External Database	Details
Met 4	-	initiating methionine
Arg 5	-	expression tag
Gly 6	-	expression tag
Ser 7	-	expression tag
His 8	-	expression tag
His 9	-	expression tag
His 10	-	expression tag
His 11	-	expression tag
His 12	-	expression tag
His 13	-	expression tag
Gly 14	-	expression tag
Ile 15	-	expression tag
Asp 16	-	expression tag
His 17	-	expression tag
Met 18	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	190988.5
Non-Polymers*	Number of molecules	8
	Total formula weight	3003.5
All*	Total formula weight	193992.0

*Water molecules are not included.