9KU5

Crystal structure of substrate bound GH5_22 exo-beta-xylosidase from the seaweed-derived thermophile Geobacillus thermodenitrificans OS27

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B (A, B)	Glycoside hydrolase	polymer	513	59395.5	2	UniProt (A0A0Q1EJD2)	Geobacillus thermodenitrificans
2	C, D (C, D)	beta-D-xylopyranose-(1-4)-beta-D-xylopyranose	branched		282.2	2	In PDB BIRD (PRD_900117) GlyTouCan (G87728WL)
3	E (A)	GLYCEROL	non-polymer		92.1	1	Chemie (GOL)
4	F, G (A)	FE (III) ION	non-polymer		55.8	2	Chemie (FE)
5	H, I (A, B)	water	water		18.0	944	Chemie (HOH)

Sequence modifications

A, B: 1 - 492 (UniProt: A0A0Q1EJD2)

PDB	External Database	Details
Met -20	-	initiating methionine
Gly -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
His -12	-	expression tag
His -11	-	expression tag
His -10	-	expression tag
His -9	-	expression tag
Ser -8	-	expression tag
Ser -7	-	expression tag
Gly -6	-	expression tag
His -5	-	expression tag
Ile -4	-	expression tag
Glu -3	-	expression tag
Gly -2	-	expression tag
Arg -1	-	expression tag
His 0	-	expression tag
Ala 188	Glu 188	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	118791.1
Branched	Number of molecules	2
	Total formula weight	564.5
Non-Polymers*	Number of molecules	3
	Total formula weight	203.8
All*	Total formula weight	119559.4

*Water molecules are not included.