6GTA

Alpha-galactosidase mutant D378A from Thermotoga maritima in complex with intact cyclohexene-based carbasugar mimic of galactose with 3,5 difluorophenyl leaving group

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Alpha-galactosidase	polymer	575	66154.1	1	UniProt (G4FEF4) Pfam (PF22676) Pfam (PF02065)	Thermotoga maritima (strain ATCC 43589 / MSB8 / DSM 3109 / JCM 10099)	Melibiase
2	B, C, D (A)	SULFATE ION	non-polymer		96.1	3	Chemie (SO4)
3	E, F (A)	MAGNESIUM ION	non-polymer		24.3	2	Chemie (MG)
4	G (A)	(1~{R},2~{S},3~{S},6~{S})-6-[3,5-bis(fluoranyl)phenoxy]-4-(hydroxymethyl)cyclohex-4-ene-1,2,3-triol	non-polymer		288.2	1	Chemie (F9W)
5	H (A)	water	water		18.0	208	Chemie (HOH)

Sequence modifications

A: 1 - 552 (UniProt: G4FEF4)

PDB	External Database	Details
Met -22	-	initiating methionine
Gly -21	-	expression tag
Ser -20	-	expression tag
Ser -19	-	expression tag
His -18	-	expression tag
His -17	-	expression tag
His -16	-	expression tag
His -15	-	expression tag
His -14	-	expression tag
His -13	-	expression tag
Ser -12	-	expression tag
Ser -11	-	expression tag
Gly -10	-	expression tag
Leu -9	-	expression tag
Val -8	-	expression tag
Pro -7	-	expression tag
Arg -6	-	expression tag
Gly -5	-	expression tag
Ser -4	-	expression tag
His -3	-	expression tag
Met -2	-	expression tag
Ala -1	-	expression tag
Ser 0	-	expression tag
Ala 387	Asp 387	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	66154.1
Non-Polymers*	Number of molecules	6
	Total formula weight	625.0
All*	Total formula weight	66779.1

*Water molecules are not included.