8CJI

Crystal structure of human tryptophan hydroxylase 1 in complex with inhibitor KM-07-052

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	Tryptophan 5-hydroxylase 1	polymer	326	37424.6	1	UniProt (P17752) Pfam (PF00351) In PDB	Homo sapiens (human)	Tryptophan 5-monooxygenase 1
2	A	FE (III) ION	non-polymer		55.8	1	Chemie (FE)
3	A	methyl (2~{S})-2-azanyl-3-[[3-[[3-ethyl-2,6-bis(oxidanylidene)-8-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)purin-7-yl]methyl]phenyl]carbonylamino]propanoate	non-polymer		548.6	1	Chemie (UWC)
4		water	water		18.0	286	Chemie (HOH)

Sequence modifications

A: 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	1
	Total formula weight	37424.6
Non-Polymers*	Number of molecules	2
	Total formula weight	604.4
All*	Total formula weight	38029.0

*Water molecules are not included.