2OBF

Structure of K57A hPNMT with inhibitor 3-Hydroxymethyl-7-(N-4-chlorophenylaminosulfonyl)-THIQ 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	289	31787.9	2	UniProt (P11086) Pfam (PF01234) In PDB	Homo sapiens (human)	PNMTase, Noradrenaline N-methyltransferase
2	A, B	(3R)-N-(4-CHLOROPHENYL)-3-(HYDROXYMETHYL)-1,2,3,4-TETRAHYDROISOQUINOLINE-7-SULFONAMIDE	non-polymer		352.8	2	Chemie (F83)
3	A, B	S-ADENOSYL-L-HOMOCYSTEINE	non-polymer		384.4	2	Chemie (SAH)
4		water	water		18.0	274	Chemie (HOH)

Sequence modifications

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

PDB	External Database	Details
Ala 57	Lys 57	engineered mutation
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	63575.7
Non-Polymers*	Number of molecules	4
	Total formula weight	1474.5
All*	Total formula weight	65050.2

*Water molecules are not included.