2G72

Structure of hPNMT with inhibitor 3-fluoromethyl-7-thiomorpholinosulfonamide-THIQ and AdoMet

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	S-ADENOSYLMETHIONINE	non-polymer		398.4	2	Chemie (SAM)
3	A, B	(3R)-3-(FLUOROMETHYL)-7-(THIOMORPHOLIN-4-YLSULFONYL)-1,2,3,4-TETRAHYDROISOQUINOLINE	non-polymer		330.4	2	Chemie (F21)
4		water	water		18.0	260	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	1457.8
All*	Total formula weight	65149.7

*Water molecules are not included.