7TWU

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 and AdoHcy (SAH)

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	Phenylethanolamine N-methyltransferase	polymer	294	32327.6	2	UniProt (P11086) Pfam (PF01234) In PDB	Homo sapiens (human)	PNMTase,Noradrenaline N-methyltransferase
2	A	S-ADENOSYL-L-HOMOCYSTEINE	non-polymer		384.4	1	Chemie (SAH)
3	A	CADMIUM ION	non-polymer		112.4	1	Chemie (CD)
4	A, B	1,2-ETHANEDIOL	non-polymer		62.1	15	Chemie (EDO)
5	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	1	Chemie (KNX)
6		water	water		18.0	120	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	18
	Total formula weight	2051.4
All*	Total formula weight	66706.5

*Water molecules are not included.