7WH9

holo structure of emodin 1-OH O-methyltransferase complex with emodin 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, C	O-methyltransferase gedA	polymer	506	56039.4	3	UniProt (Q0CCY5) Pfam (PF00891) In PDB	Aspergillus terreus	Geodin synthesis protein A
2	A, B, C	3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE	non-polymer		270.2	3	Chemie (EMO)
3	A, B, C	S-ADENOSYL-L-HOMOCYSTEINE	non-polymer		384.4	3	Chemie (SAH)
4		water	water		18.0	126	Chemie (HOH)

Sequence modifications

A, B, C: 1 - 486 (UniProt: Q0CCY5)

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
His 131	Tyr 131	conflict
Phe 236	Tyr 236	conflict
Ala 250	Pro 250	conflict
Gly 290	Asp 290	conflict
Arg 386	His 386	conflict

Contents of the asymmetric unit

Polymers	Number of chains	3
	Total formula weight	168118.3
Non-Polymers*	Number of molecules	6
	Total formula weight	1963.9
All*	Total formula weight	170082.2

*Water molecules are not included.