6IX5

The structure of LepI complex with SAM and its substrate analogue

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B (A, B)	O-methyltransferase lepI	polymer	405	45491.7	2	UniProt (B8NJH3) Pfam (PF00891)	Aspergillus flavus	Leporins biosynthesis protein I
2	C, V (A, B)	S-ADENOSYLMETHIONINE	non-polymer		398.4	2	Chemie (SAM)
3	D, W (A, B)	4-hydroxy-3-[(2S,6E,8E)-2-methyldeca-6,8-dienoyl]-5-phenylpyridin-2(1H)-one	non-polymer		351.4	2	Chemie (B0L)
4	AA, BA, CA, DA, E... (B, A)	1,2-ETHANEDIOL	non-polymer		62.1	16	Chemie (EDO)
5	EA, FA, GA, N, O... (B, A)	CHLORIDE ION	non-polymer		35.5	8	Chemie (CL)
6	S (A)	GLYCEROL	non-polymer		92.1	1	Chemie (GOL)
7	HA, T (B, A)	SODIUM ION	non-polymer		23.0	2	Chemie (NA)
8	U (A)	IMIDAZOLE	non-polymer		69.1	1	Chemie (IMD)
9	IA, JA (A, B)	water	water		18.0	927	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

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	90983.4
Non-Polymers*	Number of molecules	32
	Total formula weight	2983.6
All*	Total formula weight	93967.0

*Water molecules are not included.