3HCA

Crystal Structure of E185Q hPNMT in Complex With Octopamine 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	Phenylethanolamine N-methyltransferase	polymer	289	31845.0	2	UniProt (P11086) Pfam (PF01234) In PDB	Homo sapiens (human)	PNMTase, Noradrenaline N-methyltransferase
2	A, B	S-ADENOSYL-L-HOMOCYSTEINE	non-polymer		384.4	2	Chemie (SAH)
3	A, B	4-(2R-AMINO-1-HYDROXYETHYL)PHENOL	non-polymer		153.2	2	Chemie (OTR)
4	A	1,2-ETHANEDIOL	non-polymer		62.1	1	Chemie (EDO)
5		water	water		18.0	310	Chemie (HOH)

Sequence modifications

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

PDB	External Database	Details
Gln 185	Glu 185	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	63690.0
Non-Polymers*	Number of molecules	5
	Total formula weight	1137.2
All*	Total formula weight	64827.2

*Water molecules are not included.