1WB4

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

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	297	33748.5	2	UniProt (P51584) Pfam (PF00756)	CLOSTRIDIUM THERMOCELLUM	XYLANASE Y, XYLY, 1,4-BETA-D-XYLAN XYLANOHYDROLASE Y, XYLANASE XYN10B
2	C, Q (A, B)	SINAPINATE	non-polymer		224.2	2	Chemie (SXX)
3	D, E, R, S, T... (A, B)	GLYCEROL	non-polymer		92.1	6	Chemie (GOL)
4	F, V (A, B)	ACETIC ACID	non-polymer		60.1	2	Chemie (ACY)
5	AA, BA, CA, DA, G... (B, A)	CADMIUM ION	non-polymer		112.4	18	Chemie (CD)
6	EA, FA (A, B)	water	water		18.0	750	Chemie (HOH)

Sequence modifications

A, B: 789 - 791 (PDB: 1WB4)
A, B: 1078 - 1085 (PDB: 1WB4)
A, B: 792 - 1077 (UniProt: P51584)

PDB	External Database	Details
Ala 954	Ser 954	engineered mutation
Glu 1017	Asp 1017	conflict
Asp 1018	His 1018	conflict

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	67497.1
Non-Polymers*	Number of molecules	28
	Total formula weight	3144.5
All*	Total formula weight	70641.6

*Water molecules are not included.