9HB8

Crystal structure of human tryptophan hydroxylase 2 in complex with inhibitor KM-06-098

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)	Tryptophan 5-hydroxylase 2	polymer	372	42755.5	2	UniProt (Q8IWU9) Pfam (PF00351)	Homo sapiens (human)	Neuronal tryptophan hydroxylase,Tryptophan 5-monooxygenase 2
2	C, E (A, B)	FE (III) ION	non-polymer		55.8	2	Chemie (FE)
3	D, F (A, B)	3-ethyl-8-[(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]-7-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]purine-2,6-dione	non-polymer		500.6	2	Chemie (UVU)
4	G, H (A, B)	water	water		18.0	2	Chemie (HOH)

Sequence modifications

A, B: 148 - 490 (UniProt: Q8IWU9)

PDB	External Database	Details
Met 119	-	initiating methionine
Lys 120	-	expression tag
His 121	-	expression tag
His 122	-	expression tag
His 123	-	expression tag
His 124	-	expression tag
His 125	-	expression tag
His 126	-	expression tag
His 127	-	expression tag
Gly 128	-	expression tag
Ala 129	-	expression tag
Ala 130	-	expression tag
Gly 131	-	expression tag
Thr 132	-	expression tag
Ser 133	-	expression tag
Leu 134	-	expression tag
Tyr 135	-	expression tag
Lys 136	-	expression tag
Lys 137	-	expression tag
Ala 138	-	expression tag
Gly 139	-	expression tag
Glu 140	-	expression tag
Asn 141	-	expression tag
Leu 142	-	expression tag
Tyr 143	-	expression tag
Phe 144	-	expression tag
Gln 145	-	expression tag
Gly 146	-	expression tag
Ser 147	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	85510.9
Non-Polymers*	Number of molecules	4
	Total formula weight	1112.8
All*	Total formula weight	86623.8

*Water molecules are not included.