9DG9

Tetrahydroprotoberberine N-methyltransferase E207A mutant in complex with R-reticuline and SAM

This is a non-PDB format compatible entry.

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	383	43743.9	1	UniProt (A0A5S8WF76) Pfam (PF02353)	Glaucium flavum ( Yellow horned poppy)
2	B (A)	S-ADENOSYLMETHIONINE	non-polymer		398.4	1	Chemie (SAM)
3	C (A)	(R)-reticuline	non-polymer		329.4	1	Chemie (A1A4H)
4	D (A)	SULFATE ION	non-polymer		96.1	1	Chemie (SO4)
5	E (A)	GLYCEROL	non-polymer		92.1	1	Chemie (GOL)
6	F (A)	CHLORIDE ION	non-polymer		35.5	1	Chemie (CL)
7	G (A)	water	water		18.0	360	Chemie (HOH)

Sequence modifications

A: 1 - 358 (UniProt: A0A5S8WF76)

PDB	External Database	Details
Met -24	-	initiating methionine
Gly -23	-	expression tag
Ser -22	-	expression tag
Ser -21	-	expression tag
His -20	-	expression tag
His -19	-	expression tag
His -18	-	expression tag
His -17	-	expression tag
His -16	-	expression tag
His -15	-	expression tag
Gly -14	-	expression tag
Thr -13	-	expression tag
Gly -12	-	expression tag
Ser -11	-	expression tag
Tyr -10	-	expression tag
Ile -9	-	expression tag
Thr -8	-	expression tag
Ser -7	-	expression tag
Leu -6	-	expression tag
Tyr -5	-	expression tag
Lys -4	-	expression tag
Lys -3	-	expression tag
Ala -2	-	expression tag
Gly -1	-	expression tag
Trp 0	-	expression tag
Ala 207	Glu 207	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	43743.9
Non-Polymers*	Number of molecules	5
	Total formula weight	951.4
All*	Total formula weight	44695.3

*Water molecules are not included.