6NEH

N191D, F205S mutant of scoulerine 9-O-methyltransferase from Thalictrum flavum complexed with (13aS)-3,10-dimethoxy-5,8,13,13a-tetrahydro-6H-isoquino[3,2-a]isoquinoline-2,9-diol and S-ADENOSYL-L-HOMOCYSTEINE

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	(S)-scoulerine 9-O-methyltransferase	polymer	375	40739.6	2	UniProt (Q5C9L2) Pfam (PF08100) Pfam (PF00891) In PDB	Thalictrum flavum subsp. glaucum (Yellow meadow rue)
2	A, B	S-ADENOSYL-L-HOMOCYSTEINE	non-polymer		384.4	2	Chemie (SAH)
3	A, B	(13aS)-3,10-dimethoxy-5,8,13,13a-tetrahydro-6H-isoquino[3,2-a]isoquinoline-2,9-diol	non-polymer		327.4	2	Chemie (SLX)
4		water	water		18.0	460	Chemie (HOH)

Sequence modifications

A, B: 1 - 355 (UniProt: Q5C9L2)

PDB	External Database	Details
Met -19	-	initiating methionine
Gly -18	-	expression tag
Ser -17	-	expression tag
Ser -16	-	expression tag
His -15	-	expression tag
His -14	-	expression tag
His -13	-	expression tag
His -12	-	expression tag
His -11	-	expression tag
His -10	-	expression tag
Ser -9	-	expression tag
Ser -8	-	expression tag
Gly -7	-	expression tag
Leu -6	-	expression tag
Val -5	-	expression tag
Pro -4	-	expression tag
Arg -3	-	expression tag
Gly -2	-	expression tag
Ser -1	-	expression tag
His 0	-	expression tag
Asp 191	Asn 191	engineered mutation
Ser 205	Phe 205	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	81479.2
Non-Polymers*	Number of molecules	4
	Total formula weight	1423.6
All*	Total formula weight	82902.8

*Water molecules are not included.