4MIK

Crystal Structure of hPNMT in Complex with bisubstrate inhibitor (2R,3R,4S,5S)-2-(6-amino-9H-purin-9-yl)-5-(((2-(((7-nitro-1,2,3,4-tetrahydroisoquinolin-3-yl)methyl)amino)ethyl)thio)methyl)tetrahydrofuran-3,4-diol

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	289	31846.0	2	UniProt (P11086) Pfam (PF01234) In PDB	Homo sapiens (human)	PNMTase, Noradrenaline N-methyltransferase
2	A, B	9-{5-S-[2-({[(3S)-7-nitro-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl}amino)ethyl]-5-thio-alpha-L-lyxofuranosyl}-9H-purin-6-amine	non-polymer		516.6	2	Chemie (JIL)
3	A, B	2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL	non-polymer		122.1	2	Chemie (TRS)
4		water	water		18.0	314	Chemie (HOH)

Sequence modifications

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

PDB	External Database	Details
Glu 283	-	EXPRESSION TAG
His 284	-	EXPRESSION TAG
His 285	-	EXPRESSION TAG
His 286	-	EXPRESSION TAG
His 287	-	EXPRESSION TAG
His 288	-	EXPRESSION TAG
His 289	-	EXPRESSION TAG

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	63691.9
Non-Polymers*	Number of molecules	4
	Total formula weight	1277.4
All*	Total formula weight	64969.4

*Water molecules are not included.