7TX2

Crystal structure of human phenylethanolamine N-methyltransferase (PNMT) in complex with (2S)-2-amino-4-(((5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl)(4-(7,8-dichloro-1,2,3,4-tetrahydroisoquinolin-4-yl)butyl)amino)butanoic acid

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)	Phenylethanolamine N-methyltransferase	polymer	294	32327.6	2	UniProt (P11086) Pfam (PF01234)	Homo sapiens (human)	PNMTase,Noradrenaline N-methyltransferase
2	C, E, F (A, B)	1,2-ETHANEDIOL	non-polymer		62.1	3	Chemie (EDO)
3	D, G (A, B)	5'-([(3S)-3-amino-3-carboxypropyl]{4-[(4R)-7,8-dichloro-1,2,3,4-tetrahydroisoquinolin-4-yl]butyl}amino)-5'-deoxyadenosine	non-polymer		623.5	2	Chemie (KNX)
4	H, I (A, B)	water	water		18.0	25	Chemie (HOH)

Sequence modifications

A, B: 1 - 282 (UniProt: P11086)

PDB	External Database	Details
His -11	-	expression tag
His -10	-	expression tag
His -9	-	expression tag
His -8	-	expression tag
His -7	-	expression tag
His -6	-	expression tag
Leu -5	-	expression tag
Val -4	-	expression tag
Pro -3	-	expression tag
Arg -2	-	expression tag
Gly -1	-	expression tag
Ser 0	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	64655.2
Non-Polymers*	Number of molecules	5
	Total formula weight	1433.3
All*	Total formula weight	66088.4

*Water molecules are not included.