5T4C

Crystal structure of BhGH81 mutant in complex with laminaro-hexaose

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	Glycoside Hydrolase	polymer	783	88441.0	1	UniProt (Q9KG76) Pfam (PF03639) Pfam (PF17652) In PDB	Bacillus halodurans
2	B	beta-D-glucopyranose-(1-3)-beta-D-glucopyranose-(1-3)-beta-D-glucopyranose-(1-3)-beta-D-glucopyranose-(1-3)-beta-D-glucopyranose-(1-3)-beta-D-glucopyranose	branched		990.9	1	In PDB GlyTouCan (G41202OE)
3	C	beta-D-glucopyranose-(1-3)-beta-D-glucopyranose-(1-3)-beta-D-glucopyranose-(1-3)-beta-D-glucopyranose-(1-3)-beta-D-glucopyranose	branched		828.7	1	In PDB GlyTouCan (G03330ED)
4	A	1,2-ETHANEDIOL	non-polymer		62.1	12	Chemie (EDO)
5	A	PHOSPHATE ION	non-polymer		95.0	10	Chemie (PO4)
6		water	water		18.0	771	Chemie (HOH)

Sequence modifications

A: 28 - 789 (UniProt: Q9KG76)

PDB	External Database	Details
Met 7	-	initiating methionine
Gly 8	-	expression tag
Ser 9	-	expression tag
Ser 10	-	expression tag
His 11	-	expression tag
His 12	-	expression tag
His 13	-	expression tag
His 14	-	expression tag
His 15	-	expression tag
His 16	-	expression tag
Ser 17	-	expression tag
Ser 18	-	expression tag
Gly 19	-	expression tag
Leu 20	-	expression tag
Val 21	-	expression tag
Pro 22	-	expression tag
Arg 23	-	expression tag
Gly 24	-	expression tag
Ser 25	-	expression tag
His 26	-	expression tag
Met 27	-	expression tag
Gln 542	Glu 542	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	88441.0
Branched	Number of molecules	2
	Total formula weight	1819.6
Non-Polymers*	Number of molecules	22
	Total formula weight	1694.5
All*	Total formula weight	91955.1

*Water molecules are not included.