9RDG

Glucuronoxylan-specific GH30_8 family xylanase CtXyn30A from Clostridium thermocellum complex with glucuronic acid epoxide inhibitor

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)	Carbohydrate binding family 6	polymer	412	46875.5	2	UniProt (A3DJS9)	Acetivibrio thermocellus DSM 2360
2	C, D (C, D)	4-O-methyl-alpha-D-glucopyranuronic acid-(1-2)-beta-D-xylopyranose	branched		340.3	2	In PDB GlyTouCan (G52001IP)
3	E, F (A, B)	(1~{R},2~{S},4~{S},5~{R})-cyclohexane-1,2,3,4,5-pentol	non-polymer		164.2	2	Chemie (HQ8) PubChem (441437)
4	G, H (A, B)	water	water		18.0	897	Chemie (HOH)

Sequence modifications

A, B: -2 - 386 (UniProt: A3DJS9)

PDB	External Database	Details
Met -25	-	initiating methionine
Gly -24	-	expression tag
Ser -23	-	expression tag
Ser -22	-	expression tag
His -21	-	expression tag
His -20	-	expression tag
His -19	-	expression tag
His -18	-	expression tag
His -17	-	expression tag
His -16	-	expression tag
Ser -15	-	expression tag
Ser -14	-	expression tag
Gly -13	-	expression tag
Leu -12	-	expression tag
Val -11	-	expression tag
Pro -10	-	expression tag
Arg -9	-	expression tag
Gly -8	-	expression tag
Ser -7	-	expression tag
His -6	-	expression tag
Met -5	-	expression tag
Ala -4	-	expression tag
Ser -3	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	93751.0
Branched	Number of molecules	2
	Total formula weight	680.6
Non-Polymers*	Number of molecules	2
	Total formula weight	328.3
All*	Total formula weight	94759.9

*Water molecules are not included.