9HE3

Crystal structure of human tryptophan hydroxylase 1 in complex with inhibitor LP778902

This is a non-PDB format compatible entry.

Replaces:  7ZIK

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 1	polymer	326	37424.6	2	UniProt (P17752) Pfam (PF00351)	Homo sapiens (human)	Tryptophan 5-monooxygenase 1
2	C, E (A, B)	FE (III) ION	non-polymer		55.8	2	Chemie (FE)
3	D, F (A, B)	(2~{S})-2-azanyl-3-[4-[2-azanyl-6-[(1~{R})-1-[4-chloranyl-2-(3-methylpyrazol-1-yl)phenyl]-2,2,2-tris(fluoranyl)ethoxy]pyrimidin-4-yl]phenyl]propanoic acid	non-polymer		546.9	2	Chemie (A1IT9)
4	G, H (A, B)	water	water		18.0	76	Chemie (HOH)

Sequence modifications

A, B: 105 - 401 (UniProt: P17752)

PDB	External Database	Details
Met 76	-	initiating methionine
Lys 77	-	expression tag
His 78	-	expression tag
His 79	-	expression tag
His 80	-	expression tag
His 81	-	expression tag
His 82	-	expression tag
His 83	-	expression tag
His 84	-	expression tag
Gly 85	-	expression tag
Ala 86	-	expression tag
Ala 87	-	expression tag
Gly 88	-	expression tag
Thr 89	-	expression tag
Ser 90	-	expression tag
Leu 91	-	expression tag
Tyr 92	-	expression tag
Lys 93	-	expression tag
Lys 94	-	expression tag
Ala 95	-	expression tag
Gly 96	-	expression tag
Glu 97	-	expression tag
Asn 98	-	expression tag
Leu 99	-	expression tag
Tyr 100	-	expression tag
Phe 101	-	expression tag
Gln 102	-	expression tag
Gly 103	-	expression tag
Ser 104	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	74849.2
Non-Polymers*	Number of molecules	4
	Total formula weight	1205.5
All*	Total formula weight	76054.8

*Water molecules are not included.