2WYS

High resolution crystallographic structure of the Clostridium thermocellum N-terminal endo-1,4-beta-D-xylanase 10B (Xyn10B) CBM22-1- GH10 modules complexed with xylohexaose

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)	ENDO-1,4-BETA-XYLANASE Y	polymer	540	60658.3	2	UniProt (P51584) Pfam (PF02018) Pfam (PF00331)	CLOSTRIDIUM THERMOCELLUM	XYLANASE Y, ENDO-1,4-BETA-D-XYLANASE 10B
2	C (C)	beta-D-xylopyranose-(1-2)-beta-D-xylopyranose	branched		282.2	1	In PDB GlyTouCan (G63975WQ)
3	D (D)	beta-D-xylopyranose-(1-4)-beta-D-xylopyranose-(1-4)-beta-D-xylopyranose	branched		414.4	1	In PDB BIRD (PRD_900117) GlyTouCan (G87429QT)		4beta-beta-xylotriose
4	E (A)	beta-D-xylopyranose	non-polymer		150.1	1	Chemie (XYP)
5	F, G, H, J (A, B)	CALCIUM ION	non-polymer		40.1	4	Chemie (CA)
6	I, K (A, B)	PHOSPHATE ION	non-polymer		95.0	2	Chemie (PO4)
7	L, M (A, B)	water	water		18.0	378	Chemie (HOH)

Sequence modifications

A, B: 33 - 551 (UniProt: P51584)

PDB	External Database	Details
Mse 12	-	expression tag
Gly 13	-	expression tag
Ser 14	-	expression tag
Ser 15	-	expression tag
His 16	-	expression tag
His 17	-	expression tag
His 18	-	expression tag
His 19	-	expression tag
His 20	-	expression tag
His 21	-	expression tag
Ser 22	-	expression tag
Ser 23	-	expression tag
Gly 24	-	expression tag
Leu 25	-	expression tag
Val 26	-	expression tag
Pro 27	-	expression tag
Arg 28	-	expression tag
Gly 29	-	expression tag
Ser 30	-	expression tag
His 31	-	expression tag
Mse 32	-	expression tag
Ala 337	Glu 337	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	121316.5
Branched	Number of molecules	2
	Total formula weight	696.6
Non-Polymers*	Number of molecules	7
	Total formula weight	500.4
All*	Total formula weight	122513.5

*Water molecules are not included.