6IX9

The structure of LepI C52A in complex with SAM and leporin C

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	O-methyltransferase lepI	polymer	405	45459.6	2	UniProt (B8NJH3) Pfam (PF00891) In PDB	Aspergillus flavus (strain ATCC 200026 / FGSC A1120 / NRRL 3357 / JCM 12722 / SRRC 167)	Leporins biosynthesis protein I
2	A, B	S-ADENOSYLMETHIONINE	non-polymer		398.4	2	Chemie (SAM)
3	A	SODIUM ION	non-polymer		23.0	1	Chemie (NA)
4	B	(6R,6aS,10S,10aR)-10-methyl-4-phenyl-6-[(1E)-prop-1-en-1-yl]-2,6,6a,7,8,9,10,10a-octahydro-1H-[2]benzopyrano[4,3-c]pyridin-1-one	non-polymer		335.4	1	Chemie (B0O)
5	B	GLYCEROL	non-polymer		92.1	1	Chemie (GOL)
6	B	CHLORIDE ION	non-polymer		35.5	1	Chemie (CL)
7		water	water		18.0	546	Chemie (HOH)

Sequence modifications

A, B: 2 - 387 (UniProt: B8NJH3)

PDB	External Database	Details
Met -17	-	initiating methionine
Gly -16	-	expression tag
Ser -15	-	expression tag
Ser -14	-	expression tag
His -13	-	expression tag
His -12	-	expression tag
His -11	-	expression tag
His -10	-	expression tag
His -9	-	expression tag
His -8	-	expression tag
Glu -7	-	expression tag
Asn -6	-	expression tag
Leu -5	-	expression tag
Tyr -4	-	expression tag
Phe -3	-	expression tag
Gln -2	-	expression tag
Ser -1	-	expression tag
Asn 0	-	expression tag
Ala 1	-	expression tag
Ala 52	Cys 52	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	90919.2
Non-Polymers*	Number of molecules	6
	Total formula weight	1282.9
All*	Total formula weight	92202.1

*Water molecules are not included.