1GKL

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

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	CBM22-2,XYLANASE Y, XYLY, 1,4-BETA-D-XYLAN XYLANOHYDROLASE Y
2	C, M (A, B)	3-(4-HYDROXY-3-METHOXYPHENYL)-2-PROPENOIC ACID	non-polymer		194.2	2	Chemie (FER)
3	D, E, N, O (A, B)	GLYCEROL	non-polymer		92.1	4	Chemie (GOL)
4	F, P (A, B)	ACETATE ION	non-polymer		59.0	2	Chemie (ACT)
5	G, H, I, J, K... (A, B)	CADMIUM ION	non-polymer		112.4	12	Chemie (CD)
6	W, X (A, B)	water	water		18.0	751	Chemie (HOH)

Sequence modifications

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

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

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	67497.1
Non-Polymers*	Number of molecules	20
	Total formula weight	2223.8
All*	Total formula weight	69720.8

*Water molecules are not included.