5J6D

Discovery of acyl guanidine tryptophan hydroxylase-1 inhibitors

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	Tryptophan 5-hydroxylase 1	polymer	307	35455.3	2	UniProt (P17752) Pfam (PF00351) In PDB	Homo sapiens (Human)	Tryptophan 5-monooxygenase 1
2	A, B	FE (III) ION	non-polymer		55.8	2	Chemie (FE)
3	A, B	2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL	non-polymer		122.1	2	Chemie (TRS)
4	A, B	GLYCEROL	non-polymer		92.1	2	Chemie (GOL)
5	A, B	4-[(N-{[2-(3-methoxyphenoxy)-6-(piperidin-1-yl)phenyl]methyl}carbamimidoyl)carbamoyl]-L-phenylalanine	non-polymer		545.6	2	Chemie (6H5)
6		water	water		18.0	140	Chemie (HOH)

Sequence modifications

A, B: 102 - 402 (UniProt: P17752)

PDB	External Database	Details
His 403	-	expression tag
His 404	-	expression tag
His 405	-	expression tag
His 406	-	expression tag
His 407	-	expression tag
His 408	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	70910.7
Non-Polymers*	Number of molecules	8
	Total formula weight	1631.4
All*	Total formula weight	72542.1

*Water molecules are not included.