2OPB

Structure of K57A hPNMT with inhibitor 3-fluoromethyl-7-thiomorpholinosulfonamide-THIQ and AdoHcy

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	289	31787.9	2	UniProt (P11086) Pfam (PF01234)	Homo sapiens (human)	PNMTase, Noradrenaline N-methyltransferase
2	C, F (A, B)	(3R)-3-(FLUOROMETHYL)-7-(THIOMORPHOLIN-4-YLSULFONYL)-1,2,3,4-TETRAHYDROISOQUINOLINE	non-polymer		330.4	2	Chemie (F21)
3	D, G (A, B)	S-ADENOSYL-L-HOMOCYSTEINE	non-polymer		384.4	2	Chemie (SAH)
4	E (B)	PHOSPHATE ION	non-polymer		95.0	1	Chemie (PO4)
5	H, I (A, B)	water	water		18.0	73	Chemie (HOH)

Sequence modifications

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

PDB	External Database	Details
Ala 57	Lys 57	modified residue
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	5
	Total formula weight	1524.7
All*	Total formula weight	65100.4

*Water molecules are not included.