9FOZ

Cocrystal structure of Drosophila melangaster TDO with Compound 128

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 (A, B)	Indoleamine 2,3-dioxygenase 1	polymer	418	47085.1	2	UniProt (P14902) Pfam (PF01231)	Homo sapiens (human)	IDO-1,Indoleamine-pyrrole 2,3-dioxygenase
2	C, F (A, B)	PROTOPORPHYRIN IX CONTAINING FE	non-polymer		616.5	2	Chemie (HEM)
3	D, G (A, B)	(R)-[1-[2,5-bis(fluoranyl)-4-methoxy-phenyl]-1,2,3-triazol-4-yl]-(6-cyclopropylimidazo[1,5-a]pyrazin-5-yl)methanol	non-polymer		398.4	2	Chemie (A1H93)
4	E, H, I (A, B)	DIMETHYL SULFOXIDE	non-polymer		78.1	3	Chemie (DMS)
5	J, K (A, B)	water	water		18.0	350	Chemie (HOH)

Sequence modifications

A, B: 9 - 403 (UniProt: P14902)

PDB	External Database	Details
Met -14	-	initiating methionine
Gly -13	-	expression tag
Ser -12	-	expression tag
Ser -11	-	expression tag
His -10	-	expression tag
His -9	-	expression tag
His -8	-	expression tag
His -7	-	expression tag
His -6	-	expression tag
His -5	-	expression tag
Ser -4	-	expression tag
Ala -3	-	expression tag
Ala -2	-	expression tag
Leu -1	-	expression tag
Glu 0	-	expression tag
Val 1	-	expression tag
Leu 2	-	expression tag
Phe 3	-	expression tag
Gln 4	-	expression tag
Gly 5	-	expression tag
Pro 6	-	expression tag
His 7	-	expression tag
Met 8	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	94170.2
Non-Polymers*	Number of molecules	7
	Total formula weight	2264.1
All*	Total formula weight	96434.3

*Water molecules are not included.