6GWF

Alpha-galactosidase mutant D387A from Thermotoga maritima in complex with intact cyclohexene-based carbasugar mimic of galactose with 2,4-dinitro 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	Alpha-galactosidase	polymer	575	66154.1	1	UniProt (G4FEF4) Pfam (PF22676) Pfam (PF02065) In PDB	Thermotoga maritima MSB8	Melibiase
2	A	SULFATE ION	non-polymer		96.1	2	Chemie (SO4)
3	A	(1~{S},2~{S},5~{S},6~{R})-5-(2,4-dinitrophenoxy)-6-fluoranyl-3-(hydroxymethyl)cyclohex-3-ene-1,2-diol	non-polymer		344.2	1	Chemie (FEQ)
4	A	MAGNESIUM ION	non-polymer		24.3	1	Chemie (MG)
5		water	water		18.0	522	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	4
	Total formula weight	560.7
All*	Total formula weight	66714.8

*Water molecules are not included.