4KTR

Crystal structure of 2-O-alpha-glucosylglycerol phosphorylase in complex with isofagomine and glycerol

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, D, E...	Glycoside hydrolase family 65 central catalytic	polymer	769	87435.5	8	UniProt (D6XZ22) Pfam (PF03636) Pfam (PF03632) Pfam (PF03633) In PDB	Bacillus selenitireducens	2-O-alpha-glucosylglycerol phosphorylase
2	E, A, F, D, G...	5-HYDROXYMETHYL-3,4-DIHYDROXYPIPERIDINE	non-polymer		147.2	6	Chemie (IFM)
3	E, C, A	PENTAETHYLENE GLYCOL	non-polymer		238.3	3	Chemie (1PE)
4	B, H, C, E, A...	GLYCEROL	non-polymer		92.1	44	Chemie (GOL)
5	E, A	HEXAETHYLENE GLYCOL	non-polymer		282.3	2	Chemie (P6G)
6	C, F, A, G	TRIETHYLENE GLYCOL	non-polymer		150.2	4	Chemie (PGE)
7	D, B, E, C, A...	CALCIUM ION	non-polymer		40.1	7	Chemie (CA)
8	F, D, B, H	TETRAETHYLENE GLYCOL	non-polymer		194.2	4	Chemie (PG4)
9	D, B	2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL	non-polymer		310.4	2	Chemie (7PE)
10	C	2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL	non-polymer		354.4	1	Chemie (PE4)
11	H	3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL	non-polymer		398.5	1	Chemie (PE5)
12		water	water		18.0	1966	Chemie (HOH)

Sequence modifications

A, B, C, D, E, F, G, H: 1 - 761 (UniProt: D6XZ22)

PDB	External Database	Details
Gln 475	Glu 475	engineered mutation
Leu 762	-	expression tag
Glu 763	-	expression tag
His 764	-	expression tag
His 765	-	expression tag
His 766	-	expression tag
His 767	-	expression tag
His 768	-	expression tag
His 769	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	8
	Total formula weight	699484.4
Non-Polymers*	Number of molecules	74
	Total formula weight	9246.5
All*	Total formula weight	708730.9

*Water molecules are not included.