7WUY

The crystal structure of FinI in complex with SAM and fischerin

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)	Methyltransf_2 domain-containing protein	polymer	409	45429.1	2	UniProt (A0A1R3S1W7) Pfam (PF00891)	Aspergillus carbonarius ITEM 5010
2	C, GA, HA (A, B)	SULFATE ION	non-polymer		96.1	3	Chemie (SO4)
3	D, IA (A, B)	S-ADENOSYLMETHIONINE	non-polymer		398.4	2	Chemie (SAM)
4	E, F, G, H, I... (A, B)	1,2-ETHANEDIOL	non-polymer		62.1	33	Chemie (EDO)
5	AA, BA, CA, DA, UA... (A, B)	GLYCEROL	non-polymer		92.1	7	Chemie (GOL)
6	EA (A)	3-[[(1~{S},2~{R},4~{a}~{S},8~{a}~{S})-2-methyl-1,2,4~{a},5,6,7,8,8~{a}-octahydronaphthalen-1-yl]carbonyl]-5-[(1~{S},2~{R},5~{S},6~{S})-2,5-bis(oxidanyl)-7-oxabicyclo[4.1.0]heptan-2-yl]-4-oxidanyl-1~{H}-pyridin-2-one	non-polymer		415.5	1	Chemie (76N)
7	FA (A)	PENTAETHYLENE GLYCOL	non-polymer		238.3	1	Chemie (1PE)
8	XA, YA (B)	DI(HYDROXYETHYL)ETHER	non-polymer		106.1	2	Chemie (PEG)
9	AB, ZA (B, A)	water	water		18.0	481	Chemie (HOH)

Sequence modifications

A, B: 1 - 402 (UniProt: A0A1R3S1W7)

PDB	External Database	Details
Ile 19	Val 19	conflict
Pro 159	Ser 159	conflict
Pro 227	Arg 227	conflict
Glu 403	-	expression tag
His 404	-	expression tag
His 405	-	expression tag
His 406	-	expression tag
His 407	-	expression tag
His 408	-	expression tag
His 409	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	90858.1
Non-Polymers*	Number of molecules	49
	Total formula weight	4644.0
All*	Total formula weight	95502.1

*Water molecules are not included.