1WB6

S954A mutant of the feruloyl esterase module from clostridium thermocellum complexed with vanillate

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	ENDO-1,4-BETA-XYLANASE Y	polymer	297	33748.5	2	UniProt (P51584) Pfam (PF00756) In PDB	CLOSTRIDIUM THERMOCELLUM	XYLANASE Y, XYLY, 1,4-BETA-D-XYLAN XYLANOHYDROLASE Y, XYLANASE XYN10B
2	A, B	METHYL VANILLATE	non-polymer		182.2	2	Chemie (VXX)
3	A, B	GLYCEROL	non-polymer		92.1	7	Chemie (GOL)
4	A, B	ACETATE ION	non-polymer		59.0	2	Chemie (ACT)
5	B, A	CADMIUM ION	non-polymer		112.4	20	Chemie (CD)
6		water	water		18.0	686	Chemie (HOH)

Sequence modifications

A, B: 792 - 1077 (UniProt: P51584)

PDB	External Database	Details
Met 789	-	expression tag
Ala 790	-	expression tag
Ser 791	-	expression tag
Ala 954	Ser 954	engineered mutation
Glu 1017	Asp 1017	conflict
Asp 1018	His 1018	conflict
Leu 1078	-	expression tag
Glu 1079	-	expression tag
His 1080	-	expression tag
His 1081	-	expression tag
His 1082	-	expression tag
His 1083	-	expression tag
His 1084	-	expression tag
His 1085	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	67497.1
Non-Polymers*	Number of molecules	31
	Total formula weight	3375.3
All*	Total formula weight	70872.4

*Water molecules are not included.