5OA2

Crystal structure of ScGas2 in complex with compound 8

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	1,3-beta-glucanosyltransferase GAS2	polymer	555	62426.0	3	UniProt (Q06135) Pfam (PF03198) Pfam (PF07983) In PDB	Saccharomyces cerevisiae S288c	Glycolipid-anchored surface protein 2
2	D	beta-D-glucopyranose-(1-3)-beta-D-glucopyranose-(1-3)-beta-D-glucopyranose	branched		504.4	1	In PDB GlyTouCan (G00024MO)
3	B, A, C	1,2-ETHANEDIOL	non-polymer		62.1	39	Chemie (EDO)
4	B, A	SULFATE ION	non-polymer		96.1	4	Chemie (SO4)
5	C	[4-[[1-[(2~{R},3~{R},4~{S},5~{R},6~{R})-6-(hydroxymethyl)-4-[(2~{S},3~{R},4~{S},5~{R},6~{R})-6-(hydroxymethyl)-4-[(2~{S},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,5-bis(oxidanyl)oxan-2-yl]oxy-3,5-bis(oxidanyl)oxan-2-yl]-1,2,3-triazol-4-yl]methoxymethyl]phenyl]-oxidanyl-oxidanylidene-azanium	non-polymer		721.6	1	Chemie (9PW)
6		water	water		18.0	433	Chemie (HOH)

Contents of the asymmetric unit

Polymers	Number of chains	3
	Total formula weight	187278.0
Branched	Number of molecules	1
	Total formula weight	504.4
Non-Polymers*	Number of molecules	44
	Total formula weight	3526.5
All*	Total formula weight	191309.0

*Water molecules are not included.