5A6M

Determining the specificities of the catalytic site from the very high resolution structure of the thermostable glucuronoxylan endo-Beta-1, 4-xylanase, CtXyn30A, from Clostridium thermocellum with a xylotetraose bound

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	CARBOHYDRATE BINDING FAMILY 6	polymer	409	46396.0	1	UniProt (A3DJS9) Pfam (PF17189)	RUMINICLOSTRIDIUM THERMOCELLUM	XYN30A
2	B (B)	beta-D-xylopyranose-(1-4)-beta-D-xylopyranose-(1-4)-alpha-D-xylopyranose	branched		414.4	1	In PDB GlyTouCan (G13162YT)
3	C (C)	beta-D-xylopyranose-(1-4)-beta-D-xylopyranose	branched		282.2	1	In PDB BIRD (PRD_900116) GlyTouCan (G87728WL)		4beta-beta-xylobiose
4	D, E, F, G, H (A)	PHOSPHATE ION	non-polymer		95.0	5	Chemie (PO4)
5	I (A)	DI(HYDROXYETHYL)ETHER	non-polymer		106.1	1	Chemie (PEG)
6	J (A)	water	water		18.0	553	Chemie (HOH)

Sequence modifications

A: 1 - 386 (UniProt: A3DJS9)

PDB	External Database	Details
Met -22	-	expression tag
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
Ser 77	Phe 110	engineered mutation
Ala 225	Glu 258	engineered mutation
Cys 315	Tyr 348	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	46396.0
Branched	Number of molecules	2
	Total formula weight	696.6
Non-Polymers*	Number of molecules	6
	Total formula weight	581.0
All*	Total formula weight	47673.6

*Water molecules are not included.