9DG8

Tetrahydroprotoberberine N-methyltransferase E204A mutant in complex with (S)-reticuline and SAM

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Tetrahydroprotoberberine N-methyltransferase	polymer	382	43612.7	1	UniProt (A0A5S8WF76)	Glaucium flavum (Yellow horned-poppy)
2	B (A)	S-ADENOSYLMETHIONINE	non-polymer		398.4	1	Chemie (SAM)
3	C (A)	(S)-reticuline	non-polymer		329.4	1	Chemie (REN)
4	D (A)	GLYCEROL	non-polymer		92.1	1	Chemie (GOL)
5	E (A)	water	water		18.0	217	Chemie (HOH)

Sequence modifications

A: 2 - 358 (UniProt: A0A5S8WF76)

PDB	External Database	Details
Met -23	-	initiating methionine
Gly -22	-	expression tag
Ser -21	-	expression tag
Ser -20	-	expression tag
His -19	-	expression tag
His -18	-	expression tag
His -17	-	expression tag
His -16	-	expression tag
His -15	-	expression tag
His -14	-	expression tag
Gly -13	-	expression tag
Thr -12	-	expression tag
Gly -11	-	expression tag
Ser -10	-	expression tag
Tyr -9	-	expression tag
Ile -8	-	expression tag
Thr -7	-	expression tag
Ser -6	-	expression tag
Leu -5	-	expression tag
Tyr -4	-	expression tag
Lys -3	-	expression tag
Lys -2	-	expression tag
Ala -1	-	expression tag
Gly 0	-	expression tag
Trp 1	-	expression tag
Ala 204	Glu 204	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	43612.7
Non-Polymers*	Number of molecules	3
	Total formula weight	819.9
All*	Total formula weight	44432.6

*Water molecules are not included.